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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: DB01094
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB01094 Hesperetin Thumb


4 known interactions (targets) of input drug (DB01094): Hesperetin
No. Gene UniProt ID Protein Name Pathway PDB
1 MTTP P55157 Microsomal triglyceride transfer protein large subunit hsa04975 NA
2 SOAT1 P35610 Sterol O-acyltransferase 1 hsa00100; hsa04979 NA
3 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW
4 SOAT2 O75908 Sterol O-acyltransferase 2 hsa00100; hsa04979 NA


20 predicted interactions (targets) of input drug (DB01094): Hesperetin
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 39.8%
2 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 30.5%
3 OPRK1 P41145 Kappa-type opioid receptor hsa04080 2A0D; 2IQN; 4DJH 30.1%
4 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 28.1%
5 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 27.9%
6 PARP1 P09874 Poly [ADP-ribose] polymerase 1 hsa03410; hsa04064; hsa04210; hsa04217 27.8%
7 TYMS P04818 Thymidylate synthase hsa00240; hsa00670; hsa01100; hsa01523 27.0%
8 PPARG P37231 Peroxisome proliferator-activated receptor gamma hsa03320; hsa04152; hsa04211; hsa04380; hsa04714; hsa05016; hsa05200; hsa05202; hsa05216
1FM6; 1FM9; 1I7I; 1K74; 1KNU; 1NYX; 1PRG; 1RDT; 1WM0; 1ZEO; 1ZGY; 2ATH; 2F4B; 2FVJ; 2G0G; 2G0H; 2GTK; 2HFP; 2HWQ; 2HWR; 2I4J; 2I4P; 2I4Z; 2OM9; 2P4Y; 2POB; 2PRG; 2Q59; 2Q5P; 2Q5S; 2Q61; 2Q6R; 2Q6S; 2Q8S; 2QMV; 2VSR; 2VST; 2VV0; 2VV1; 2VV2; 2VV3; 2VV4; 2XKW; 2YFE; 2ZK0; 2ZK1; 2ZK2; 2ZK3; 2ZK4; 2ZK5; 2ZK6; 2ZNO; 2ZVT; 3ADS; 3ADT; 3ADU; 3ADV; 3ADW; 3ADX; 3AN3; 3AN4; 3B0Q; 3B0R; 3B1M; 3B3K; 3BC5; 3CDP; 3CDS; 3CS8; 3CWD; 3D6D; 3DZU; 3DZY; 3E00; 3ET0; 3ET3; 3FEJ; 3FUR; 3G9E; 3GBK; 3H0A; 3HO0; 3HOD; 3IA6; 3K8S; 3KMG; 3LMP; 3NOA; 3OSI; 3OSW; 3PBA; 3PO9; 3PRG; 3QT0; 3R5N; 3R8A; 3R8I; 3S9S; 3SZ1; 3T03; 3TY0; 3U9Q; 3V9T; 3V9V; 3V9Y; 3VJH; 3VJI; 3VN2; 3VSO; 3VSP; 3WJ4; 3WJ5; 3WMH; 3X1H; 3X1I; 4A4V; 4A4W; 4CI5; 4E4K; 4E4Q; 4EM9; 4EMA; 4F9M; 4FGY; 4HEE; 4JAZ; 4JL4; 4L96; 4L98; 4O8F; 4OJ4; 4PRG; 4PVU; 4PWL; 4R2U; 4R6S; 4XLD; 4XTA; 4XUM; 4Y29
 25.3%
9 CELA1 Q9UNI1 Chymotrypsin-like elastase family member 1 NA NA 24.3%
10 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 23.7%
11 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 22.4%
12 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA 22.1%
13 SRD5A1 P18405 3-oxo-5-alpha-steroid 4-dehydrogenase 1 hsa00140 NA 20.3%
14 ESRRA P11474 Steroid hormone receptor ERR1 NA 1XB7; 2PJL; 3D24; 3K6P 20.0%
15 ELANE P08246 Neutrophil elastase hsa05202; hsa05322 1B0F; 1H1B; 1HNE; 1PPF; 1PPG; 2RG3; 2Z7F; 3Q76; 3Q77; 4NZL; 4WVP; 5A09; 5A0A; 5A0B; 5A0C; 5ABW 19.1%
16 OPRD1 P41143 Delta-type opioid receptor hsa04022; hsa04071; hsa04080 1OZC; 2IQM; 4N6H; 4RWA; 4RWD 18.3%
17 GPER1 Q99527 G-protein coupled estrogen receptor 1 hsa01522; hsa04915 NA 17.9%
18 ESRRB O95718 Steroid hormone receptor ERR2 hsa04550 1LO1 17.5%
19 DGKA P23743 Diacylglycerol kinase alpha hsa00561; hsa00564; hsa01100; hsa04070; hsa04072; hsa05231 1TUZ 17.4%
20 LY96 Q9Y6Y9 Lymphocyte antigen 96 hsa04064; hsa04620; hsa05130; hsa05133; hsa05145 1T2Z; 2E56; 2E59; 2Z65; 3FXI; 3ULA; 4G8A 17.2%


  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.