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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: DB09462
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB09462 Glycerin Thumb


13 known interactions (targets) of input drug (DB09462): Glycerin
No. Gene UniProt ID Protein Name Pathway PDB
1 TRDMT1 O14717 tRNA (cytosine(38)-C(5))-methyltransferase NA 1G55
2 PAEP P09466 Glycodelin NA 4R0B
3 TGFBR2 P37173 TGF-beta receptor type-2 hsa04010; hsa04060; hsa04068; hsa04144; hsa04218; hsa04350; hsa04380; hsa04390; hsa04520; hsa04659; hsa04926; hsa04933; hsa05142; hsa05166; hsa05200; hsa05202; hsa05210; hsa05212; hsa05220; hsa05225; hsa05226 1KTZ; 1M9Z; 1PLO; 2PJY; 3KFD; 4P7U; 4XJJ
4 PAPSS1 O43252 Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1 hsa00230; hsa00450; hsa00920; hsa01100 1X6V; 1XJQ; 1XNJ; 2OFW; 2OFX; 2PEY; 2PEZ; 2QJF
5 ISYNA1 Q9NPH2 Inositol-3-phosphate synthase 1 hsa00562; hsa01100 NA
6 ITPR1 Q14643 Inositol 1,4,5-trisphosphate receptor type 1 hsa04020; hsa04022; hsa04070; hsa04114; hsa04140; hsa04210; hsa04218; hsa04270; hsa04371; hsa04540; hsa04611; hsa04621; hsa04625; hsa04713; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04728; hsa04730; hsa04750; hsa04912; hsa04915; hsa04918; hsa04921; hsa04922; hsa04924; hsa04925; hsa04927; hsa04928; hsa04934; hsa04970; hsa04971; hsa04972; hsa05010; hsa05016; hsa05163; hsa05167; hsa05170; hsa05205 NA
7 PLA2G2E Q9NZK7 Group IIE secretory phospholipase A2 hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 NA
8 ADH1B P00325 Alcohol dehydrogenase 1B hsa00010; hsa00071; hsa00350; hsa00830; hsa00980; hsa00982; hsa01100; hsa05204 1DEH; 1HDX; 1HDY; 1HDZ; 1HSZ; 1HTB; 1U3U; 1U3V; 3HUD
9 HPGDS O60760 Hematopoietic prostaglandin D synthase hsa00480; hsa00590; hsa00980; hsa00982; hsa01100; hsa05204
10 NAGA P17050 Alpha-N-acetylgalactosaminidase hsa00603; hsa01100; hsa04142 3H53; 3H54; 3H55; 3IGU; 4DO4; 4DO5; 4DO6
11 GSTP1 P09211 Glutathione S-transferase P hsa00480; hsa00980; hsa00982; hsa00983; hsa01524; hsa05200; hsa05204; hsa05215; hsa05225; hsa05418
12 PPARD Q03181 Peroxisome proliferator-activated receptor delta hsa03320; hsa04310; hsa05200; hsa05221
13 ARF1 P84077 ADP-ribosylation factor 1 hsa04072; hsa04144; hsa05110; hsa05134 1HUR; 1RE0; 1U81; 3O47; 4HMY


20 predicted interactions (targets) of input drug (DB09462): Glycerin
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 GABBR1 Q9UBS5 Gamma-aminobutyric acid type B receptor subunit 1 hsa04024; hsa04080; hsa04727; hsa04742; hsa04915; hsa05032 4MQE; 4MQF; 4MR7; 4MR8; 4MR9; 4MRM; 4MS1; 4MS3; 4MS4; 4PAS 35.0%
2 SLC12A1 Q13621 Solute carrier family 12 member 1 NA NA 31.9%
3 CYP19A1 P11511 Aromatase hsa00140; hsa01100; hsa04913 1TQA; 3EQM; 3S79; 3S7S; 4GL5; 4GL7; 4KQ8 31.9%
4 MAPK10 P53779 Mitogen-activated protein kinase 10 hsa01522; hsa04010; hsa04012; hsa04014; hsa04024; hsa04068; hsa04071; hsa04137; hsa04140; hsa04141; hsa04210; hsa04215; hsa04217; hsa04310; hsa04380; hsa04510; hsa04530; hsa04620; hsa04621; hsa04622; hsa04625; hsa04657; hsa04658; hsa04659; hsa04664; hsa04668; hsa04722; hsa04723; hsa04728; hsa04750; hsa04910; hsa04912; hsa04914; hsa04917; hsa04920; hsa04926; hsa04930; hsa04931; hsa04932; hsa04933; hsa05120; hsa05131; hsa05132; hsa05133; hsa05142; hsa05145; hsa05152; hsa05160; hsa05161; hsa05164; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05210; hsa05212; hsa05231; hsa05418 30.5%
5 AGTR1 P30556 Type-1 angiotensin II receptor hsa04020; hsa04022; hsa04072; hsa04080; hsa04261; hsa04270; hsa04371; hsa04614; hsa04924; hsa04925; hsa04927; hsa04933; hsa04934; hsa05200 1ZV0; 4YAY; 4ZUD 30.0%
6 VEGFA P15692 Vascular endothelial growth factor A hsa01521; hsa04010; hsa04014; hsa04015; hsa04066; hsa04151; hsa04370; hsa04510; hsa04926; hsa04933; hsa05163; hsa05165; hsa05167; hsa05200; hsa05205; hsa05206; hsa05211; hsa05212; hsa05219; hsa05323; hsa05418 28.4%
7 PTPN1 P18031 Tyrosine-protein phosphatase non-receptor type 1 hsa04520; hsa04910; hsa04931 28.4%
8 PMP2 P02689 Myelin P2 protein NA 2WUT; 3NR3; 4A1H; 4A1Y; 4A8Z; 4BVM; 4D6A; 4D6B 28.2%
9 RHO P08100 Rhodopsin hsa04744 4ZWJ 27.7%
10 GABRR1 P24046 Gamma-aminobutyric acid receptor subunit rho-1 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 26.6%
11 GABRA3 P34903 Gamma-aminobutyric acid receptor subunit alpha-3 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 26.2%
12 TOP1 P11387 DNA topoisomerase 1 NA 1A31; 1A35; 1A36; 1EJ9; 1K4S; 1K4T; 1LPQ; 1NH3; 1R49; 1RR8; 1RRJ; 1SC7; 1SEU; 1T8I; 1TL8 25.8%
13 GABRD O14764 Gamma-aminobutyric acid receptor subunit delta hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 25.6%
14 GABRA4 P48169 Gamma-aminobutyric acid receptor subunit alpha-4 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 25.6%
15 CBR1 P16152 Carbonyl reductase [NADPH] 1 hsa00590; hsa00790; hsa00980; hsa01100; hsa05204 1WMA; 2PFG; 3BHI; 3BHJ; 3BHM; 4Z3D 25.4%
16 TSPO P30536 Translocator protein hsa04080; hsa04979; hsa05166 NA 25.4%
17 CHRM3 P20309 Muscarinic acetylcholine receptor M3 hsa04020; hsa04080; hsa04725; hsa04742; hsa04810; hsa04911; hsa04970; hsa04971; hsa04972 2CSA 25.1%
18 IFNG P01579 Interferon gamma hsa03050; hsa04060; hsa04066; hsa04217; hsa04350; hsa04380; hsa04612; hsa04630; hsa04650; hsa04657; hsa04658; hsa04659; hsa04660; hsa04940; hsa05132; hsa05140; hsa05142; hsa05143; hsa05144; hsa05145; hsa05146; hsa05152; hsa05162; hsa05164; hsa05168; hsa05169; hsa05200; hsa05321; hsa05322; hsa05323; hsa05330; hsa05332; hsa05418 1EKU; 1FG9; 1FYH; 1HIG; 3BES 25.0%
19 GABRA2 P47869 Gamma-aminobutyric acid receptor subunit alpha-2 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 24.6%
20 GABRB1 P18505 Gamma-aminobutyric acid receptor subunit beta-1 hsa04080; hsa04723; hsa04726; hsa04727; hsa05032; hsa05033 NA 24.5%


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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.