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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: DB07932
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB07932 dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate Thumb


No. Gene UniProt ID Protein Name Pathway PDB
1 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224
2 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919


No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 40.6%
2 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 37.2%
3 GPER1 Q99527 G-protein coupled estrogen receptor 1 hsa01522; hsa04915 NA 30.7%
4 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 25.0%
5 HSD17B2 P37059 Estradiol 17-beta-dehydrogenase 2 hsa00140; hsa01100; hsa04913 NA 23.3%
6 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC 20.5%
7 ESRRB O95718 Steroid hormone receptor ERR2 hsa04550 1LO1 20.2%
8 MT-ATP6 P00846 ATP synthase subunit a hsa00190; hsa01100; hsa04714; hsa05010; hsa05012; hsa05016 NA 19.8%
9 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 19.7%
10 BECN1 Q14457 Beclin-1 hsa04136; hsa04137; hsa04140; hsa04215; hsa04371; hsa05167 2P1L; 2PON; 3DVU; 4DDP; 4MI8; 5EFM; 5HHE 19.0%
11 IGHG1 P01857 Ig gamma-1 chain C region NA
1AJ7; 1AQK; 1BEY; 1D5B; 1D5I; 1D6V; 1DFB; 1DN2; 1E4K; 1FC1; 1FC2; 1FCC; 1GAF; 1H3T; 1H3U; 1H3V; 1H3W; 1H3X; 1H3Y; 1HKL; 1HZH; 1I7Z; 1L6X; 1N7M; 1OP3; 1OQO; 1OQX; 1T83; 1T89; 1VGE; 2DTS; 2GJ7; 2I5Y; 2IWG; 2J6E; 2JB5; 2JB6; 2O5X; 2O5Y; 2O5Z; 2OSL; 2QAD; 2QL1; 2QQK; 2QQL; 2QQN; 2QR0; 2R56; 2RCJ; 2RCS; 2VXQ; 2WAH; 3AGV; 3AVE; 3AY4; 3B2U; 3B2V; 3BDY; 3BE1; 3BKY; 3BN9; 3BQU; 3C08; 3C09; 3C2S; 3CFJ; 3CFK; 3CSY; 3D0L; 3D0V; 3D6G; 3D85; 3DJ9; 3DNK; 3DO3; 3DRO; 3DRQ; 3DVG; 3DVN; 3EYF; 3EYO; 3EYQ; 3FJT; 3O11; 3RY6; 3S7G; 3SGJ; 3SGK; 3TV3; 3TWC; 3TYG; 3U0W; 3U7W; 3U7Y; 3V7M; 3V8C; 3V95; 3WJJ; 3WJL; 3WKN; 3WN5; 4ACP; 4B7I; 4BM7; 4BSV; 4BSW; 4BYH; 4CDH; 4D9Q; 4D9R; 4DAG; 4DZ8; 4EOW; 4J12; 4KU1; 4LLD; 4LLM; 4LLQ; 4N0U; 4NQS; 4NQT; 4NQU; 4NWT; 4NWU; 4O4Y; 4O51; 4Q6Y; 4Q74; 4Q7D; 4W4N; 4W4O; 4WI2; 4WI3; 4WI4; 4WI5; 4WI6; 4WI7; 4WI8; 4WI9; 4X4M; 4X98; 4X99; 4ZNE; 5BW7
 18.5%
12 AHR P35869 Aryl hydrocarbon receptor hsa04659; hsa04934 NA 18.2%
13 CYP1B1 Q16678 Cytochrome P450 1B1 hsa00140; hsa00380; hsa00980; hsa04913; hsa05204; hsa05206 3PM0 16.8%
14 RXRB P28702 Retinoic acid receptor RXR-beta hsa03320; hsa04659; hsa04919; hsa04920; hsa04928; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 1H9U; 1UHL 16.4%
15 ESRRA P11474 Steroid hormone receptor ERR1 NA 1XB7; 2PJL; 3D24; 3K6P 16.3%
16 NR1H3 Q13133 Oxysterols receptor LXR-alpha hsa03320; hsa04931; hsa04932; hsa05160 1UHL; 3IPQ; 3IPS; 3IPU; 5AVI; 5AVL 16.2%
17 NCOA1 Q15788 Nuclear receptor coactivator 1 hsa04915; hsa04919; hsa05200; hsa05224 15.9%
18 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 15.4%
19 RXRA P19793 Retinoic acid receptor RXR-alpha hsa03320; hsa04151; hsa04659; hsa04919; hsa04920; hsa04928; hsa04932; hsa04976; hsa05160; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 15.4%
20 EGFR P00533 Epidermal growth factor receptor hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04015; hsa04020; hsa04066; hsa04068; hsa04072; hsa04144; hsa04151; hsa04510; hsa04520; hsa04540; hsa04630; hsa04810; hsa04912; hsa04915; hsa04921; hsa04926; hsa04928; hsa04934; hsa05120; hsa05160; hsa05163; hsa05165; hsa05200; hsa05205; hsa05206; hsa05210; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05219; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231 14.9%


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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.