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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB04468
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational SmallMoleculeDrug DB04468 Afimoxifene Thumb


7 known interactions (targets) of input drug (DB04468): Afimoxifene
No. Gene UniProt ID Protein Name Pathway PDB
1 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224
2 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA
3 ESRRA P11474 Steroid hormone receptor ERR1 NA 1XB7; 2PJL; 3D24; 3K6P
4 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW
5 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224
6 TFF1 P04155 Trefoil factor 1 hsa04915 1HI7; 1PS2
7 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC


20 predicted interactions (targets) of input drug (DB04468): Afimoxifene
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 55.8%
2 GPER1 Q99527 G-protein coupled estrogen receptor 1 hsa01522; hsa04915 NA 50.6%
3 ESRRB O95718 Steroid hormone receptor ERR2 hsa04550 1LO1 38.9%
4 CYP1B1 Q16678 Cytochrome P450 1B1 hsa00140; hsa00380; hsa00980; hsa04913; hsa05204; hsa05206 3PM0 37.1%
5 MT-ATP6 P00846 ATP synthase subunit a hsa00190; hsa01100; hsa04714; hsa05010; hsa05012; hsa05016 NA 37.0%
6 BECN1 Q14457 Beclin-1 hsa04136; hsa04137; hsa04140; hsa04215; hsa04371; hsa05167 2P1L; 2PON; 3DVU; 4DDP; 4MI8; 5EFM; 5HHE 35.8%
7 HSD17B2 P37059 Estradiol 17-beta-dehydrogenase 2 hsa00140; hsa01100; hsa04913 NA 35.2%
8 CHRNA4 P43681 Neuronal acetylcholine receptor subunit alpha-4 hsa04080; hsa04725; hsa05033 2GVT; 2LLY 28.9%
9 PTPN1 P18031 Tyrosine-protein phosphatase non-receptor type 1 hsa04520; hsa04910; hsa04931 24.8%
10 NCOA1 Q15788 Nuclear receptor coactivator 1 hsa04915; hsa04919; hsa05200; hsa05224 24.4%
11 HRH2 P25021 Histamine H2 receptor hsa04020; hsa04080; hsa04971 NA 23.9%
12 OPRK1 P41145 Kappa-type opioid receptor hsa04080 2A0D; 2IQN; 4DJH 23.7%
13 PGR P06401 Progesterone receptor hsa04114; hsa04914; hsa04915; hsa05224 1A28; 1E3K; 1SQN; 1SR7; 1ZUC; 2C7A; 2OVH; 2OVM; 2W8Y; 3D90; 3G8O; 3HQ5; 3KBA; 3ZR7; 3ZRA; 3ZRB; 4A2J; 4APU; 4OAR 23.1%
14 SERPINB9 P50453 Serpin B9 hsa05146 NA 22.6%
15 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 21.3%
16 AKT1 P31749 RAC-alpha serine/threonine-protein kinase hsa01521; hsa01522; hsa01524; hsa04010; hsa04012; hsa04014; hsa04015; hsa04022; hsa04024; hsa04062; hsa04066; hsa04068; hsa04071; hsa04072; hsa04140; hsa04150; hsa04151; hsa04152; hsa04210; hsa04211; hsa04213; hsa04218; hsa04261; hsa04370; hsa04371; hsa04380; hsa04510; hsa04550; hsa04611; hsa04620; hsa04625; hsa04630; hsa04660; hsa04662; hsa04664; hsa04666; hsa04668; hsa04722; hsa04725; hsa04728; hsa04910; hsa04914; hsa04915; hsa04917; hsa04919; hsa04920; hsa04922; hsa04923; hsa04926; hsa04931; hsa04932; hsa04933; hsa04973; hsa05142; hsa05145; hsa05152; hsa05160; hsa05161; hsa05162; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05169; hsa05170; hsa05200; hsa05205; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05220; hsa05221; hsa05222; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231; hsa05418 20.5%
17 COMT P21964 Catechol O-methyltransferase hsa00140; hsa00350; hsa01100; hsa04728 3A7E; 3BWM; 3BWY; 4PYI; 4PYJ; 4PYK; 4XUC; 4XUD; 4XUE 20.2%
18 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA 20.2%
19 OPRD1 P41143 Delta-type opioid receptor hsa04022; hsa04071; hsa04080 1OZC; 2IQM; 4N6H; 4RWA; 4RWD 19.1%
20 CBR1 P16152 Carbonyl reductase [NADPH] 1 hsa00590; hsa00790; hsa00980; hsa01100; hsa05204 1WMA; 2PFG; 3BHI; 3BHJ; 3BHM; 4Z3D 18.2%


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Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.

Contact:

The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.