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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: DB01812
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB01812 Adenosine-3'-5'-Diphosphate Thumb


10 known interactions (targets) of input drug (DB01812): Adenosine-3'-5'-Diphosphate
No. Gene UniProt ID Protein Name Pathway PDB
1 SULT1A1 P50225 Sulfotransferase 1A1 hsa05204 1LS6; 1Z28; 2D06; 3QVU; 3QVV; 3U3J; 3U3K; 3U3M; 3U3O; 3U3R; 4GRA
2 SULT1B1 O43704 Sulfotransferase family cytosolic 1B member 1 NA 2Z5F; 3CKL
3 NDST1 P52848 Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 1 hsa00534; hsa01100 1NST
4 SULT2A1 Q06520 Bile salt sulfotransferase hsa00980; hsa04976; hsa05204 1EFH; 1J99; 1OV4; 2QP3; 2QP4; 3F3Y; 4IFB
5 HS3ST3A1 Q9Y663 Heparan sulfate glucosamine 3-O-sulfotransferase 3A1 hsa00534 1T8T; 1T8U
6 RNASE2 P10153 Non-secretory ribonuclease NA 1GQV; 1HI2; 1HI3; 1HI4; 1HI5; 1K2A; 2BEX; 2BZZ; 2C01; 2C02; 2C05; 5E13
7 RNASE1 P07998 Ribonuclease pancreatic NA 1DZA; 1E21; 1H8X; 1Z7X; 2E0J; 2E0L; 2E0M; 2E0O; 2K11; 2Q4G; 3F8G; 4KXH
8 SULT1E1 P49888 Estrogen sulfotransferase hsa00140 1G3M; 1HY3; 4JVL; 4JVM; 4JVN
9 SULT2B1 O00204 Sulfotransferase family cytosolic 2B member 1 hsa00140 1Q1Q; 1Q1Z; 1Q20; 1Q22
10 HS3ST1 O14792 Heparan sulfate glucosamine 3-O-sulfotransferase 1 hsa00534 1ZRH


20 predicted interactions (targets) of input drug (DB01812): Adenosine-3'-5'-Diphosphate
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PPARA Q07869 Peroxisome proliferator-activated receptor alpha hsa03320; hsa04024; hsa04920; hsa04922; hsa04931; hsa04932; hsa05160 1I7G; 1K7L; 1KKQ; 2NPA; 2P54; 2REW; 2ZNN; 3ET1; 3FEI; 3G8I; 3KDT; 3KDU; 3SP6; 3VI8; 4BCR; 4CI4 37.8%
2 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99 36.7%
3 RNASE3 P12724 Eosinophil cationic protein hsa05310 1DYT; 1H1H; 1QMT; 2KB5; 2LVZ; 4A2O; 4A2Y; 4OWZ; 4OXB; 4OXF; 4X08 36.4%
4 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 27.5%
5 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 27.2%
6 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 26.3%
7 SQLE Q14534 Squalene monooxygenase hsa00100; hsa01100 NA 26.1%
8 C1QB P02746 Complement C1q subcomponent subunit B hsa04610; hsa05020; hsa05133; hsa05142; hsa05150; hsa05322 1PK6; 2JG8; 2JG9; 2WNU; 2WNV 25.2%
9 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 24.2%
10 GRIN3B O60391 Glutamate receptor ionotropic, NMDA 3B hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA 24.1%
11 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE 23.6%
12 PYGL P06737 Glycogen phosphorylase, liver form hsa00500; hsa01100; hsa04217; hsa04910; hsa04922; hsa04931 1EM6; 1EXV; 1FA9; 1FC0; 1L5Q; 1L5R; 1L5S; 1L7X; 1XOI; 2ATI; 2QLL; 2ZB2; 3CEH; 3CEJ; 3CEM; 3DD1; 3DDS; 3DDW 22.1%
13 PLEKHA1 Q9HB21 Pleckstrin homology domain-containing family A member 1 NA 1EAZ 21.9%
14 PTPN1 P18031 Tyrosine-protein phosphatase non-receptor type 1 hsa04520; hsa04910; hsa04931 20.1%
15 CA1 P00915 Carbonic anhydrase 1 hsa00910 19.9%
16 FCGR2C P31995 Low affinity immunoglobulin gamma Fc region receptor II-c hsa04145; hsa04380; hsa05140; hsa05150; hsa05152 3WJL 19.9%
17 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 19.9%
18 KCNK1 O00180 Potassium channel subfamily K member 1 NA 3UKM 19.8%
19 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 19.8%
20 MAN1B1 Q9UKM7 Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase hsa00510; hsa01100; hsa04141 1FMI; 1FO2; 1FO3; 1X9D 19.8%


  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.