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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: DB08398
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational SmallMoleculeDrug DB08398 2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine Thumb


2 known interactions (targets) of input drug (DB08398): 2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine
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


20 predicted interactions (targets) of input drug (DB08398): 2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 37.6%
2 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 29.1%
3 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 29.0%
4 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 27.5%
5 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 27.5%
6 MT-ATP6 P00846 ATP synthase subunit a hsa00190; hsa01100; hsa04714; hsa05010; hsa05012; hsa05016 NA 25.5%
7 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC 23.4%
8 HSD17B2 P37059 Estradiol 17-beta-dehydrogenase 2 hsa00140; hsa01100; hsa04913 NA 23.2%
9 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 23.0%
10 GPER1 Q99527 G-protein coupled estrogen receptor 1 hsa01522; hsa04915 NA 22.3%
11 BECN1 Q14457 Beclin-1 hsa04136; hsa04137; hsa04140; hsa04215; hsa04371; hsa05167 2P1L; 2PON; 3DVU; 4DDP; 4MI8; 5EFM; 5HHE 19.2%
12 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 17.6%
13 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 16.6%
14 NR1H3 Q13133 Oxysterols receptor LXR-alpha hsa03320; hsa04931; hsa04932; hsa05160 1UHL; 3IPQ; 3IPS; 3IPU; 5AVI; 5AVL 15.5%
15 AHR P35869 Aryl hydrocarbon receptor hsa04659; hsa04934 NA 14.7%
16 SRD5A1 P18405 3-oxo-5-alpha-steroid 4-dehydrogenase 1 hsa00140 NA 14.3%
17 SIGMAR1 Q99720 Sigma non-opioid intracellular receptor 1 NA NA 14.2%
18 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X 13.5%
19 RXRA P19793 Retinoic acid receptor RXR-alpha hsa03320; hsa04151; hsa04659; hsa04919; hsa04920; hsa04928; hsa04932; hsa04976; hsa05160; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 13.1%
20 MTTP P55157 Microsomal triglyceride transfer protein large subunit hsa04975 NA 13.0%


  logl

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.