Reddy AS, Zhang S (2013) Polypharmacology: drug discovery for the future. Expert Rev Clin

Pharmacol 6(1):41–47. https://doi.org/10.1586/ecp.12.74

Reker D, Rodrigues T, Schneider P, Schneider G (2014) Identifying the macromolecular targets of

de novo-designed chemical entities through self-organizing map consensus. Proc Natl Acad Sci

111(11):4067–4072. https://doi.org/10.1073/pnas.1320001111

Rognan D (2010) Structure-based approaches to target fishing and ligand profiling. Molecular

Informatics 29(3):176–187. https://doi.org/10.1002/minf.200900081

Rothman RB, Baumann MH, Savage JE, Rauser L, McBride A, Hufeisen SJ, Roth BL (2000)

Evidence for possible involvement of 5-HT2B receptors in the cardiac valvulopathy associated

with fenfluramine and other serotonergic medications. Circulation 102(23):2836–2841. https://

doi.org/10.1161/01.CIR.102.23.2836

Sahrawat TR, Chawla P (2016) Identification of potential off-targets of chemotherapeutic agent

sorafenib: a molecular docking approach. Int Lett Nat Sci 51:51–57. https://doi.org/10.18052/

www.scipress.com/ILNS.51.51

Schenone M, Dančík V, Wagner BK, Clemons PA (2013) Target identification and mechanism of

action in chemical biology and drug discovery. Nat Chem Biol 9(4):232–240. https://doi.org/10.

1038/nchembio.1199

Shoichet BK, Kuntz ID (1993) Matching chemistry and shape in molecular docking. Protein Eng

Des Sel 6(7):723–732. https://doi.org/10.1093/protein/6.7.723

Tan Z, Chaudhai R, Zhang S (2016) Polypharmacology in drug development: a minireview of

current technologies. ChemMedChem 11(12):1211–1218. https://doi.org/10.1002/cmdc.

201600067

Vasudevan SR, Moore JB, Schymura Y, Churchill GC (2012) Shape-based reprofiling of

FDA-approved drugs for the H1 histamine receptor. J Med Chem 55(16):7054–7060. https://

doi.org/10.1021/jm300671m

Wang JC, Chu PY, Chen CM, Lin JH (2012) idTarget: a web server for identifying protein targets of

small chemical molecules with robust scoring functions and a divide-and-conquer docking

approach. Nucleic Acids Res 40(W1):W393–W399. https://doi.org/10.1093/nar/gks496

Wang JH, Zhao LF, Lin P, Su XR, Chen SJ, Huang LQ, Wang HF, Zhang H, Hu ZF, Yao KT,

Huang ZX (2014) GenCLiP 2.0: a web server for functional clustering of genes and construction

of molecular networks based on free terms. Bioinformatics 30(17):2534–2536. https://doi.org/

10.1093/bioinformatics/btu241

Wei D, Jiang X, Zhou L, Chen J, Chen Z, He C, Yang K, Liu Y, Pei J, Lai L (2008) Discovery of

multi-target inhibitors by combining molecular docking with common pharmacophore

matching. J Med Chem 51(24):7882–7888. https://doi.org/10.1021/jm8010096

Willett P (2009) Similarity methods in chemoinformatics. Annu Rev Inf Sci Technol 43:3–71

Yamanishi Y, Araki M, Gutteridge A, Honda W, Kanehisa M (2008) Prediction of drug–target

interaction networks from the integration of chemical and genomic spaces. Bioinformatics

24(13):i232–i240. https://doi.org/10.1093/bioinformatics/btn162

Yang JJ, Zhou Q, Yan HH, Zhang XC, Chen HJ, Tu HY, Wang Z, Xu CR, Su J, Wang BC, Jiang

BY (2017) A phase III randomised controlled trial of erlotinib vs gefitinib in advanced

non-small cell lung cancer with EGFR mutations. Br J Cancer 116(5):568. https://doi.org/10.

1038/bjc.2016.456

Yera ER, Cleves AE, Jain AN (2011) Chemical structural novelty: on-targets and off-targets. J Med

Chem 54(19):6771–6785. https://doi.org/10.1021/jm200666a

Zambrowicz BP, Sands AT (2003) Knockouts model the 100 best-selling drugs—will they model

the next 100? Nat Rev Drug Discov 2(1):38. https://doi.org/10.1038/nrd987

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