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Volumn 16, Issue 4, 2014, Pages 847-859

Many approved drugs have bioactive analogs with different target annotations

Author keywords

approved drugs; bioactive compounds; drug targets; matched molecular pairs; polypharmacology; structural relationships

Indexed keywords

ADENOSINE; ALIMEMAZINE; ALISKIREN; ARIPIPRAZOLE; BENZATROPINE; BIFONAZOLE; CINNARIZINE; CLOTRIMAZOLE; CYCLIZINE; DIMENHYDRINATE; DIPHENHYDRAMINE; DRUG ANALOG; FLUNARIZINE; HALOPERIDOL; INDOMETACIN; METHDILAZINE; MIFEPRISTONE; MILNACIPRAN; MODAFINIL; PARACETAMOL; PHENELZINE; PROFENAMINE; PROMAZINE; PROMETHAZINE; RIMONABANT; SITAGLIPTIN; SULFANILAMIDE; UNINDEXED DRUG; VIDARABINE; VORINOSTAT; DRUG;

EID: 84903587648     PISSN: None     EISSN: 15507416     Source Type: Journal    
DOI: 10.1208/s12248-014-9621-8     Document Type: Article
Times cited : (12)

References (39)
  • 3
    • 54249155522 scopus 로고    scopus 로고
    • Network pharmacology: The next paradigm in drug discovery
    • doi:10.1038/nchembio.118
    • Hopkins AL. Network pharmacology: the next paradigm in drug discovery. Nat Chem Biol. 2008;4(11):682-90. doi:10.1038/nchembio.118.
    • (2008) Nat Chem Biol , vol.4 , Issue.11 , pp. 682-690
    • Hopkins, A.L.1
  • 4
    • 77954052283 scopus 로고    scopus 로고
    • Sys tems approaches to polypharmacology and drug discovery
    • Boran ADW, Iyengar R. Sys tems approaches to polypharmacology and drug discovery. Curr Opin Drug Discov Devel. 2010;13(3):297-309.
    • (2010) Curr Opin Drug Discov Devel , vol.13 , Issue.3 , pp. 297-309
    • Boran, A.D.W.1    Iyengar, R.2
  • 5
    • 75149130051 scopus 로고    scopus 로고
    • Targeting the cancer kinome through polypharmacology
    • doi:10.1038/nrc2787
    • Knight ZA, Lin H, Shokat KM. Targeting the cancer kinome through polypharmacology. Nat Rev Cancer. 2010;10(2):130-7. doi:10.1038/nrc2787.
    • (2010) Nat Rev Cancer , vol.10 , Issue.2 , pp. 130-137
    • Knight, Z.A.1    Lin, H.2    Shokat, K.M.3
  • 6
    • 47249146126 scopus 로고    scopus 로고
    • Drug target identification using side-effect similarity
    • DOI 10.1126/science.1158140
    • Campillos M, Kuhn M, Gavin AC, Jensen LJ, Bork P. Drug target identification using side-effect similarity. Science. 2008;321(5886):263-6. doi:10.1126/science.1158140. (Pubitemid 351989100)
    • (2008) Science , vol.321 , Issue.5886 , pp. 263-266
    • Campillos, M.1    Kuhn, M.2    Gavin, A.-C.3    Jensen, L.J.4    Bork, P.5
  • 7
    • 84862510972 scopus 로고    scopus 로고
    • Large-scale prediction and testing of drug activity on side-effect targets
    • doi:10.1038/nature11159
    • Lounkine E, Keiser MJ, Whitebread S, Mikhailov D, Hamon J, Jenkins JL, et al. Large-scale prediction and testing of drug activity on side-effect targets. Nature. 2012;486(7403):361-7. doi:10.1038/nature11159.
    • (2012) Nature , vol.486 , Issue.7403 , pp. 361-367
    • Lounkine, E.1    Keiser, M.J.2    Whitebread, S.3    Mikhailov, D.4    Hamon, J.5    Jenkins, J.L.6
  • 8
    • 34547770279 scopus 로고    scopus 로고
    • New uses for old drugs
    • DOI 10.1038/448645a, PII 448645A
    • Chong CR, Sullivan DJ. New uses for old drugs. Nature. 2006;448(7154):645-6. doi:10.1038/448645a. (Pubitemid 47236844)
    • (2007) Nature , vol.448 , Issue.7154 , pp. 645-646
    • Chong, C.R.1    Sullivan Jr., D.J.2
  • 9
    • 84855882587 scopus 로고    scopus 로고
    • Novel computational approaches to polypharmacology as a means to define responses to individual drugs
    • doi:10.1146/annurev-pharmtox-010611-134630
    • Xie L, Xie L, Kinnings SL, Bourne PE. Novel computational approaches to polypharmacology as a means to define responses to individual drugs. Annu Rev Pharmacol Toxicol. 2012;52:361-79. doi:10.1146/annurev-pharmtox-010611-134630.
    • (2012) Annu Rev Pharmacol Toxicol , vol.52 , pp. 361-379
    • Xie, L.1    Xie, L.2    Kinnings, S.L.3    Bourne, P.E.4
  • 10
    • 84871812725 scopus 로고    scopus 로고
    • On the origins of drug polypharmacology
    • doi:10.1039/C2MD20242E
    • Jalencas X, Mestres J. On the origins of drug polypharmacology. MedChemComm. 2013;4(1):80-7. doi:10.1039/C2MD20242E.
    • (2013) MedChemComm , vol.4 , Issue.1 , pp. 80-87
    • Jalencas, X.1    Mestres, J.2
  • 11
    • 84872002166 scopus 로고    scopus 로고
    • How promiscuous are pharmaceutically relevant compounds? A data-driven assessment
    • doi:10.1208/s12248-012-9421-y
    • Hu Y, Bajorath J. How promiscuous are pharmaceutically relevant compounds? A data-driven assessment. AAPS J. 2013;15(1):104-11. doi:10.1208/s12248-012-9421-y.
    • (2013) AAPS J , vol.15 , Issue.1 , pp. 104-111
    • Hu, Y.1    Bajorath, J.2
  • 12
    • 84879892154 scopus 로고    scopus 로고
    • Compound promiscuity: What can we learn from current data?
    • doi:10.1016/j.drudis.2013.03.002
    • Hu Y, Bajorath J. Compound promiscuity: what can we learn from current data? Drug Discov Today. 2013;18(13-14):644-50. doi:10.1016/j.drudis.2013.03. 002.
    • (2013) Drug Discov Today , vol.18 , Issue.13-14 , pp. 644-650
    • Hu, Y.1    Bajorath, J.2
  • 13
    • 84900400053 scopus 로고    scopus 로고
    • F1000Res. doi:10.12688/f1000research.2-144.v2 v2; ref status: indexed
    • Hu Y, Bajorath J. High-resolution view of compound promiscuity. F1000Res. 2013;2:144. doi:10.12688/f1000research.2-144.v2 [v2; ref status: indexed, http://f1000r.es/1ig].
    • (2013) High-resolution View of Compound Promiscuity , vol.2 , pp. 144
    • Hu, Y.1    Bajorath, J.2
  • 14
    • 51349085387 scopus 로고    scopus 로고
    • Data completeness - The Achilles heel of drug-target networks
    • doi:10.1038/nbt0908-983
    • Mestres J, Gregori-Puigjané E, Valverde S, Solé RV. Data completeness - the Achilles heel of drug-target networks. Nat Biotechnol. 2008;26(9):983-4. doi:10.1038/nbt0908-983.
    • (2008) Nat Biotechnol , vol.26 , Issue.9 , pp. 983-984
    • Mestres, J.1    Gregori-Puigjané, E.2    Valverde, S.3    Solé, R.V.4
  • 15
    • 84862192766 scopus 로고    scopus 로고
    • ChEMBL: A large-scale bioactivity database for drug discovery
    • doi:10.1093/nar/gkr777
    • Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, et al. ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res. 2012;40(Database issue):D1100-7. doi:10.1093/nar/gkr777.
    • (2012) Nucleic Acids Res , vol.40 , Issue.DATABASE ISSUE
    • Gaulton, A.1    Bellis, L.J.2    Bento, A.P.3    Chambers, J.4    Davies, M.5    Hersey, A.6
  • 17
    • 78651287426 scopus 로고    scopus 로고
    • DrugBank 3.0: A comprehensive resource for 'omics' research on drugs
    • Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, et al. DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011;39(Database issue):D1035-41.
    • (2011) Nucleic Acids Res , vol.39 , Issue.DATABASE ISSUE
    • Knox, C.1    Law, V.2    Jewison, T.3    Liu, P.4    Ly, S.5    Frolkis, A.6
  • 18
    • 84859305196 scopus 로고    scopus 로고
    • Many structurally related drugs bind different targets whereas distinct drugs display significant target overlap
    • doi:10.1039/C2RA01345B
    • Hu Y, Bajorath J. Many structurally related drugs bind different targets whereas distinct drugs display significant target overlap. RSC Adv. 2012;2(8):3481-9. doi:10.1039/C2RA01345B.
    • (2012) RSC Adv , vol.2 , Issue.8 , pp. 3481-3489
    • Hu, Y.1    Bajorath, J.2
  • 19
    • 35748934487 scopus 로고    scopus 로고
    • The influence of drug-like concepts on decision-making in medicinal chemistry
    • DOI 10.1038/nrd2445, PII NRD2445
    • Leeson PD, Springthorpe B. The influence of drug-like concepts on decision-making in medicinal chemistry. Nature Rev Drug Discovery. 2007;6(11):881-90. doi:10.1038/nrd2445. (Pubitemid 350042396)
    • (2007) Nature Reviews Drug Discovery , vol.6 , Issue.11 , pp. 881-890
    • Leeson, P.D.1    Springthorpe, B.2
  • 20
    • 75749105013 scopus 로고    scopus 로고
    • Drug and drug candidate building block analysis
    • doi:10.1021/ci900398f
    • Wang J, Hou T. Drug and drug candidate building block analysis. J Chem Inf Model. 2010;50(1):55-67. doi:10.1021/ci900398f.
    • (2010) J Chem Inf Model , vol.50 , Issue.1 , pp. 55-67
    • Wang, J.1    Hou, T.2
  • 21
    • 0042121318 scopus 로고    scopus 로고
    • Medicinal chemistry of target family-directed masterkeys
    • DOI 10.1016/S1359-6446(03)02781-8, PII S1359644603027818
    • Müller G. Medicinal chemistry of target family-directed masterkeys. Drug Discov Today. 2003;8(15):681-91. doi:10.1016/S1359-6446(03)02781-8. (Pubitemid 36969999)
    • (2003) Drug Discovery Today , vol.8 , Issue.15 , pp. 681-691
    • Muller, G.1
  • 22
    • 42949088496 scopus 로고    scopus 로고
    • Chemical fragments as foundations for understanding target space and activity prediction
    • DOI 10.1021/jm701399f
    • Sutherland JJ, Higgs RE, Watson I, Vieth M. Chemical fragments as foundations for understanding target space and activity prediction. J Med Chem. 2008;51(9):2689-700. doi:10.1021/jm701399f. (Pubitemid 351620791)
    • (2008) Journal of Medicinal Chemistry , vol.51 , Issue.9 , pp. 2689-2700
    • Sutherland, J.J.1    Higgs, R.E.2    Watson, I.3    Vieth, M.4
  • 24
    • 0029894013 scopus 로고    scopus 로고
    • The properties of known drugs. 1. Molecular frameworks
    • DOI 10.1021/jm9602928
    • Bemis GW, Murcko MA. The properties of known drugs. 1. Molecular frameworks. J Med Chem. 1996;39(15):2887-93. (Pubitemid 26251026)
    • (1996) Journal of Medicinal Chemistry , vol.39 , Issue.15 , pp. 2887-2893
    • Bemis, G.W.1    Murcko, M.A.2
  • 25
    • 75749154412 scopus 로고    scopus 로고
    • Scaffold distributions in bioactive molecules, clinical trials compounds, and drugs
    • doi:10.1002/cmdc.200900419
    • Hu Y, Bajorath J. Scaffold distributions in bioactive molecules, clinical trials compounds, and drugs. ChemMedChem. 2010;5(2):187-90. doi:10.1002/cmdc.200900419.
    • (2010) ChemMedChem , vol.5 , Issue.2 , pp. 187-190
    • Hu, Y.1    Bajorath, J.2
  • 26
    • 84895557543 scopus 로고    scopus 로고
    • Many drugs contain unique scaffolds with varying structural relationships to scaffolds of currently available bioactive compounds
    • doi:10.1016/j.ejmech.2014.02.040
    • Hu Y, Bajorath J. Many drugs contain unique scaffolds with varying structural relationships to scaffolds of currently available bioactive compounds. Eur J Med Chem. 2014;76:427-34. doi:10.1016/j.ejmech.2014.02.040.
    • (2014) Eur J Med Chem , vol.76 , pp. 427-434
    • Hu, Y.1    Bajorath, J.2
  • 27
    • 78650715341 scopus 로고    scopus 로고
    • Polypharmacology directed compound data mining: Identification of promiscuous chemotypes with different activity profiles and comparison to approved drugs
    • doi:10.1021/ci1003637
    • Hu Y, Bajorath J. Polypharmacology directed compound data mining: identification of promiscuous chemotypes with different activity profiles and comparison to approved drugs. J Chem Inf Model. 2010;50(12):2112-8. doi:10.1021/ci1003637.
    • (2010) J Chem Inf Model , vol.50 , Issue.12 , pp. 2112-2118
    • Hu, Y.1    Bajorath, J.2
  • 28
    • 85016377807 scopus 로고    scopus 로고
    • Structure modification in chemical databases
    • Oprea TI, Ed.; Wiley-VCH: Weinheim, Germany
    • Kenny PW, Sadowski J. Structure modification in chemical databases. In Chemoinformatics in Drug Discovery; Oprea TI, Ed.; Wiley-VCH: Weinheim, Germany, 2004; pp 271-285.
    • (2004) Chemoinformatics in Drug Discovery , pp. 271-285
    • Kenny, P.W.1    Sadowski, J.2
  • 29
    • 77949848865 scopus 로고    scopus 로고
    • Computationally efficient algorithm to identify matched molecular pairs (MMPs) in large data sets
    • doi:10.1021/ci900450m
    • Hussain J, Rea C. Computationally efficient algorithm to identify matched molecular pairs (MMPs) in large data sets. J Chem Inf Model. 2010;50(3):339-48. doi:10.1021/ci900450m.
    • (2010) J Chem Inf Model , vol.50 , Issue.3 , pp. 339-348
    • Hussain, J.1    Rea, C.2
  • 30
    • 84861503290 scopus 로고    scopus 로고
    • MMP-Cliffs: Systematic identification of activity cliffs on the basis of matched molecular pairs
    • doi:10.1021/ci3001138
    • Hu X, Hu Y, Vogt M, Stumpfe D, Bajorath J. MMP-Cliffs: systematic identification of activity cliffs on the basis of matched molecular pairs. J Chem Inf Model. 2012;52(5):1138-45. doi:10.1021/ci3001138.
    • (2012) J Chem Inf Model , vol.52 , Issue.5 , pp. 1138-1145
    • Hu, X.1    Hu, Y.2    Vogt, M.3    Stumpfe, D.4    Bajorath, J.5
  • 31
    • 84903604051 scopus 로고    scopus 로고
    • Santa Fe, NM, USA
    • OEChem, version 1.7.7, OpenEye Scientific Software, Inc., Santa Fe, NM, USA. 2012. http://www.eyesopen.com.
    • (2012) OEChem, Version 1.7.7
  • 33
    • 0028015747 scopus 로고
    • Modafinil binds to the dopamine uptake carrier site with low affinity
    • Mignot E, Nishino S, Guilleminault C, Dement WC. Modafinil binds to the dopamine uptake carrier site with low affinity. Sleep. 1994;17(5):436-7. (Pubitemid 24271517)
    • (1994) Sleep , vol.17 , Issue.5 , pp. 436-437
    • Mignot, E.1    Nishino, S.2    Guilleminault, C.3    Dement, W.C.4
  • 34
    • 0032712296 scopus 로고    scopus 로고
    • Contrasting EEG profiles elicited by antipsychotic agents in the prefrontal cortex of the conscious rat: Antagonism of the effects of clozapine by modafinil
    • DOI 10.1038/sj.bjp.0702893
    • Sebban C, Tesolin-Decros B, Millan MJ, Spedding M. Contrasting EEG profiles elicited by antipsychotic agents in the prefrontal cortex of the conscious rat: antagonism of the effects of clozapine by modafinil. Br J Pharmacol. 1999;128(5):1055-63. doi:10.1038/sj.bjp.0702893. (Pubitemid 29512039)
    • (1999) British Journal of Pharmacology , vol.128 , Issue.5 , pp. 1055-1063
    • Sebban, C.1    Tesolin-Decros, B.2    Millan, M.J.3    Spedding, M.4
  • 35
    • 34547653184 scopus 로고    scopus 로고
    • Mechanism of modafinil: A review of current research
    • Gerrard P, Malcolm R. Mechanisms of modafinil: a review of current research. Neuropsychiatr Dis Treat. 2007;3(3):349-64. doi:10.2147/NDT.S. (Pubitemid 47215010)
    • (2007) Neuropsychiatric Disease and Treatment , vol.3 , Issue.3 , pp. 349-364
    • Gerrard, P.1    Malcolm, R.2
  • 36
    • 0037388156 scopus 로고    scopus 로고
    • 1 receptor antagonists: A critical review of their metabolic and pharmacokinetic fate from a bird's eye view
    • DOI 10.2174/1389200033489523
    • Sharma A, Hamelin BA. Classic histamine H1 receptor antagonists: a critical review of their metabolic and pharmacokinetic fate from a bird's eye view. Curr Drug Metab. 2003;4(2):105-29. doi:10.2174/1389200033489523. (Pubitemid 36443191)
    • (2003) Current Drug Metabolism , vol.4 , Issue.2 , pp. 105-129
    • Sharma, A.1    Hamelin, B.A.2
  • 37
    • 82655181503 scopus 로고    scopus 로고
    • The histaminergic system regulates wakefulness and orexin/hypocretin neuron development via histamine receptor H1 in zebrafish
    • doi:10.1096/fj.11-188268
    • Sundvik M, Kudo H, Toivonen P, Rozov S, Chen YC, Panula P. The histaminergic system regulates wakefulness and orexin/hypocretin neuron development via histamine receptor H1 in zebrafish. FASEB J. 2011;25(12):4338-47. doi:10.1096/fj.11-188268.
    • (2011) FASEB J , vol.25 , Issue.12 , pp. 4338-4347
    • Sundvik, M.1    Kudo, H.2    Toivonen, P.3    Rozov, S.4    Chen, Y.C.5    Panula, P.6
  • 38
    • 0037295005 scopus 로고    scopus 로고
    • Inactivation of cholinesterase induced by chlorpromazine cation radicals
    • DOI 10.1034/j.1600-0773.2003.920207.x
    • Muraoka S, Miura T. Inactivation of cholinesterase induced by chlorpromazine cation radicals. Pharmacol Toxicol. 2003;92(2):100-4. doi:10.1034/j.1600-0773.2003.920207.x. (Pubitemid 36288310)
    • (2003) Pharmacology and Toxicology , vol.92 , Issue.2 , pp. 100-104
    • Muraoka, S.1    Miura, T.2
  • 39
    • 84899415084 scopus 로고    scopus 로고
    • Learning from 'big data': Compounds and targets
    • doi:10.1016/j.drudis.2014.02.004
    • Hu Y, Bajorath J. Learning from 'big data': compounds and targets. Drug Discov Today. 2014;19(4):357-60. doi:10.1016/j.drudis.2014.02.004.
    • (2014) Drug Discov Today , vol.19 , Issue.4 , pp. 357-360
    • Hu, Y.1    Bajorath, J.2


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