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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: DB02148
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB02148 3-Amino-4-Oxybenzyl-2-Butanone Thumb


1 known interactions (targets) of input drug (DB02148): 3-Amino-4-Oxybenzyl-2-Butanone
No. Gene UniProt ID Protein Name Pathway PDB
1 CTSB P07858 Cathepsin B hsa04140; hsa04142; hsa04210; hsa04612; hsa04621; hsa04924 1CSB; 1GMY; 1HUC; 1PBH; 2IPP; 2PBH; 3AI8; 3CBJ; 3CBK; 3K9M; 3PBH


14 predicted interactions (targets) of input drug (DB02148): 3-Amino-4-Oxybenzyl-2-Butanone
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 15.5%
2 ABL2 P42684 Abelson tyrosine-protein kinase 2 hsa04012; hsa04014; hsa05416 2ECD; 2KK1; 2XYN; 3GVU; 3HMI; 3ULR; 4EIH 13.2%
3 PARP1 P09874 Poly [ADP-ribose] polymerase 1 hsa03410; hsa04064; hsa04210; hsa04217 12.5%
4 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 12.2%
5 TNNC1 P63316 Troponin C, slow skeletal and cardiac muscles hsa04020; hsa04260; hsa04261; hsa05410; hsa05414 11.4%
6 PTGIS Q16647 Prostacyclin synthase hsa00590; hsa01100 2IAG; 3B6H 11.3%
7 NOS3 P29474 Nitric oxide synthase, endothelial hsa00220; hsa00330; hsa01100; hsa04020; hsa04022; hsa04066; hsa04071; hsa04151; hsa04370; hsa04371; hsa04611; hsa04915; hsa04921; hsa04926; hsa04931; hsa04933; hsa05418 1M9J; 1M9K; 1M9M; 1M9Q; 1M9R; 1NIW; 2LL7; 2MG5; 3EAH; 3NOS; 4D1O; 4D1P 11.3%
8 MAPK9 P45984 Mitogen-activated protein kinase 9 hsa01522; hsa04010; hsa04012; hsa04014; hsa04024; hsa04068; hsa04071; hsa04137; hsa04140; hsa04141; hsa04210; hsa04215; hsa04217; hsa04310; hsa04380; hsa04510; hsa04530; hsa04620; hsa04621; hsa04622; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; 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 3E7O; 3NPC 11.0%
9 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA 10.8%
10 RNASE1 P07998 Ribonuclease pancreatic NA 1DZA; 1E21; 1H8X; 1Z7X; 2E0J; 2E0L; 2E0M; 2E0O; 2K11; 2Q4G; 3F8G; 4KXH 10.8%
11 APP P05067 Amyloid beta A4 protein hsa04726; hsa05010 10.8%
12 MB P02144 Myoglobin NA 3RGK 10.8%
13 RFK Q969G6 Riboflavin kinase hsa00740; hsa01100 1NB0; 1NB9; 1P4M; 1Q9S 10.4%
14 NOS2 P35228 Nitric oxide synthase, inducible hsa00220; hsa00330; hsa01100; hsa04020; hsa04066; hsa04146; hsa04371; hsa04926; hsa05132; hsa05133; hsa05140; hsa05142; hsa05145; hsa05146; hsa05152; hsa05200; hsa05222 1NSI; 2LL6; 2NSI; 3E7G; 3EJ8; 3HR4; 4CX7; 4NOS 10.4%


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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.