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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: DB02325
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB02325 Isopropyl Alcohol Thumb


16 known interactions (targets) of input drug (DB02325): Isopropyl Alcohol
No. Gene UniProt ID Protein Name Pathway PDB
1 PRDX6 P30041 Peroxiredoxin-6 hsa01100 1PRX
2 GDF5 P43026 Growth/differentiation factor 5 hsa04060; hsa04350; hsa04390 1WAQ; 2BHK; 3EVS; 3QB4
3 CHIT1 Q13231 Chitotriosidase-1 hsa00520; hsa01100 1GUV; 1HKI; 1HKJ; 1HKK; 1HKM; 1LG1; 1LG2; 1LQ0; 1WAW; 1WB0; 4WJX; 4WK9; 4WKA; 4WKF; 4WKH
4 RNGTT O60942 mRNA-capping enzyme hsa03015 2C46; 3S24
5 NA P06312 Ig kappa chain V-IV region Len NA 1DH6; 1EEQ; 1EEU; 1EFQ; 1EK3; 1LVE; 1QAC; 2LVE; 3LVE; 4LVE; 5LVE
6 AHCY P23526 Adenosylhomocysteinase hsa00270; hsa01100 1A7A; 1LI4; 3NJ4; 4PFJ; 4PGF
7 DDX39B Q13838 Spliceosome RNA helicase DDX39B hsa03013; hsa03015; hsa03040; hsa05164 1T5I; 1T6N; 1XTI; 1XTJ; 1XTK
8 DCXR Q7Z4W1 L-xylulose reductase hsa00040; hsa01100 1PR9; 1WNT; 3D3W
9 ACP5 P13686 Tartrate-resistant acid phosphatase type 5 hsa00740; hsa01100; hsa04142; hsa04380; hsa05323 1WAR; 2BQ8
10 GM2A P17900 Ganglioside GM2 activator hsa04142 1G13; 1PU5; 1PUB; 1TJJ; 2AF9; 2AG2; 2AG4; 2AG9
11 PRSS2 P07478 Trypsin-2 hsa04080; hsa04972; hsa04974; hsa05164 NA
12 RNASE1 P07998 Ribonuclease pancreatic NA 1DZA; 1E21; 1H8X; 1Z7X; 2E0J; 2E0L; 2E0M; 2E0O; 2K11; 2Q4G; 3F8G; 4KXH
13 ADI1 Q9BV57 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase hsa00270; hsa01100 4QGN
14 TNF P01375 Tumor necrosis factor hsa01523; hsa04010; hsa04060; hsa04064; hsa04071; hsa04150; hsa04210; hsa04217; hsa04350; hsa04380; hsa04612; hsa04620; hsa04621; hsa04622; hsa04625; hsa04640; hsa04650; hsa04657; hsa04660; hsa04664; hsa04668; hsa04920; hsa04930; hsa04931; hsa04932; hsa04933; hsa04940; hsa05010; hsa05014; hsa05133; hsa05134; hsa05140; hsa05142; hsa05143; hsa05144; hsa05145; hsa05146; hsa05152; hsa05160; hsa05161; hsa05163; hsa05164; hsa05165; hsa05166; hsa05168; hsa05170; hsa05205; hsa05310; hsa05321; hsa05322; hsa05323; hsa05330; hsa05332; hsa05410; hsa05414; hsa05418 1A8M; 1TNF; 2AZ5; 2E7A; 2TUN; 2ZJC; 2ZPX; 3ALQ; 3IT8; 3L9J; 3WD5; 4G3Y; 4TSV; 4TWT; 5TSW
15 GCH1 P30793 GTP cyclohydrolase 1 hsa00790; hsa01100 1FB1
16 PLA2G2A P14555 Phospholipase A2, membrane associated hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 1AYP; 1BBC; 1DB4; 1DB5; 1DCY; 1J1A; 1KQU; 1KVO; 1N28; 1N29; 1POD; 1POE; 2GNY; 3U8B; 3U8D; 3U8H; 3U8I


20 predicted interactions (targets) of input drug (DB02325): Isopropyl Alcohol
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 CHEK1 O14757 Serine/threonine-protein kinase Chk1 hsa04110; hsa04115; hsa04218; hsa05166; hsa05170; hsa05203 36.8%
2 PLA2G2E Q9NZK7 Group IIE secretory phospholipase A2 hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 NA 33.4%
3 ORM1 P02763 Alpha-1-acid glycoprotein 1 NA 3KQ0 31.7%
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 29.1%
5 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X 28.1%
6 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 27.1%
7 LTA4H P09960 Leukotriene A-4 hydrolase hsa00590; hsa01100 27.0%
8 PTGER3 P43115 Prostaglandin E2 receptor EP3 subtype hsa04020; hsa04024; hsa04080; hsa04923; hsa05163; hsa05200 NA 26.4%
9 PTGFR P43088 Prostaglandin F2-alpha receptor hsa04020; hsa04072; hsa04080 NA 25.8%
10 CDK7 P50613 Cyclin-dependent kinase 7 hsa03022; hsa03420; hsa04110 1LG3; 1PA8; 1UA2; 2HIC 25.3%
11 FOLH1 Q04609 Glutamate carboxypeptidase 2 hsa00250; hsa01100; hsa04977 25.1%
12 PTGS2 P35354 Prostaglandin G/H synthase 2 hsa00590; hsa01100; hsa04064; hsa04370; hsa04625; hsa04657; hsa04668; hsa04723; hsa04726; hsa04913; hsa04921; hsa04923; hsa05140; hsa05163; hsa05165; hsa05167; hsa05200; hsa05204; hsa05206; hsa05222 1V0X 24.8%
13 PLAU P00749 Urokinase-type plasminogen activator hsa04064; hsa04610; hsa05202; hsa05205; hsa05206; hsa05215 24.5%
14 HBB P68871 Hemoglobin subunit beta hsa05143; hsa05144
1A00; 1A01; 1A0U; 1A0Z; 1A3N; 1A3O; 1ABW; 1ABY; 1AJ9; 1B86; 1BAB; 1BBB; 1BIJ; 1BUW; 1BZ0; 1BZ1; 1BZZ; 1C7B; 1C7C; 1C7D; 1CBL; 1CBM; 1CH4; 1CLS; 1CMY; 1COH; 1DKE; 1DXT; 1DXU; 1DXV; 1FN3; 1G9V; 1GBU; 1GBV; 1GLI; 1GZX; 1HAB; 1HAC; 1HBA; 1HBB; 1HBS; 1HCO; 1HDB; 1HGA; 1HGB; 1HGC; 1HHO; 1IRD; 1J3Y; 1J3Z; 1J40; 1J41; 1J7S; 1J7W; 1J7Y; 1JY7; 1K0Y; 1K1K; 1KD2; 1LFL; 1LFQ; 1LFT; 1LFV; 1LFY; 1LFZ; 1LJW; 1M9P; 1MKO; 1NEJ; 1NIH; 1NQP; 1O1I; 1O1J; 1O1K; 1O1L; 1O1M; 1O1N; 1O1O; 1O1P; 1QI8; 1QSH; 1QSI; 1QXD; 1QXE; 1R1X; 1R1Y; 1RPS; 1RQ3; 1RQ4; 1RQA; 1RVW; 1SDK; 1SDL; 1THB; 1UIW; 1VWT; 1XXT; 1XY0; 1XYE; 1XZ2; 1XZ4; 1XZ5; 1XZ7; 1XZU; 1XZV; 1Y09; 1Y0A; 1Y0C; 1Y0D; 1Y0T; 1Y0W; 1Y22; 1Y2Z; 1Y31; 1Y35; 1Y45; 1Y46; 1Y4B; 1Y4F; 1Y4G; 1Y4P; 1Y4Q; 1Y4R; 1Y4V; 1Y5F; 1Y5J; 1Y5K; 1Y7C; 1Y7D; 1Y7G; 1Y7Z; 1Y83; 1Y85; 1Y8W; 1YDZ; 1YE0; 1YE1; 1YE2; 1YEN; 1YEO; 1YEQ; 1YEU; 1YEV; 1YFF; 1YG5; 1YGD; 1YGF; 1YH9; 1YHE; 1YHR; 1YIE; 1YIH; 1YVQ; 1YVT; 1YZI; 2D5Z; 2D60; 2DN1; 2DN2; 2DN3; 2DXM; 2H35; 2HBC; 2HBD; 2HBE; 2HBF; 2HBS; 2HCO; 2HHB; 2HHD; 2HHE; 2M6Z; 2W6V; 2W72; 2YRS; 3B75; 3D17; 3D7O; 3DUT; 3HHB; 3HXN; 3IC0; 3IC2; 3KMF; 3NL7; 3NMM; 3ODQ; 3ONZ; 3OO4; 3OO5; 3P5Q; 3QJB; 3QJC; 3QJD; 3QJE; 3R5I; 3S65; 3S66; 3SZK; 3W4U; 3WCP; 3WHM; 4FC3; 4HHB; 4IJ2; 4L7Y; 4M4A; 4M4B; 4MQC; 4MQG; 4MQH; 4MQI; 4N7N; 4N7O; 4N7P; 4N8T; 4NI0; 4NI1; 4ROL; 4ROM; 4WJG; 4X0I; 4X0L; 4XS0; 5E29; 5E6E; 5EE4; 6HBW
 24.2%
15 HSP90B1 P14625 Endoplasmin hsa04141; hsa04151; hsa04657; hsa04915; hsa04918; hsa05200; hsa05215; hsa05418 4NH9 24.1%
16 GLTP Q9NZD2 Glycolipid transfer protein NA 23.8%
17 IL23A Q9NPF7 Interleukin-23 subunit alpha hsa04060; hsa04625; hsa04630; hsa04659; hsa05133; hsa05152; hsa05200; hsa05321; hsa05323 3D85; 3D87; 3DUH; 3QWR; 4GRW; 4OE8; 4OG9 23.6%
18 HSD11B1 P28845 Corticosteroid 11-beta-dehydrogenase isozyme 1 hsa00140; hsa00980; hsa01100; hsa05204 23.5%
19 EFTUD1 Q7Z2Z2 Elongation factor Tu GTP-binding domain-containing protein 1 hsa03008 5ANB; 5ANC 23.2%
20 NME1 P15531 Nucleoside diphosphate kinase A hsa00230; hsa00240; hsa00983; hsa01100 1JXV; 1UCN; 2HVD; 2HVE; 3L7U; 4ENO 22.7%


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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.