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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: DB04114
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB04114 3-Chloro-9-Ethyl-6,7,8,9,10,11-Hexahydro-7,11-Methanocycloocta[B]Quinolin-12-Amine Thumb


1 known interactions (targets) of input drug (DB04114): 3-Chloro-9-Ethyl-6,7,8,9,10,11-Hexahydro-7,11-Methanocycloocta[B]Quinolin-12-Amine
No. Gene UniProt ID Protein Name Pathway PDB
1 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE


20 predicted interactions (targets) of input drug (DB04114): 3-Chloro-9-Ethyl-6,7,8,9,10,11-Hexahydro-7,11-Methanocycloocta[B]Quinolin-12-Amine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 BCHE P06276 Cholinesterase NA 43.2%
2 MMP13 P45452 Collagenase 3 hsa04657; hsa04926; hsa04928 18.5%
3 CHRNA2 Q15822 Neuronal acetylcholine receptor subunit alpha-2 hsa04080 NA 17.1%
4 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X 15.3%
5 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN 14.5%
6 HMGCR P04035 3-hydroxy-3-methylglutaryl-coenzyme A reductase hsa00900; hsa01100; hsa04152; hsa04976 13.8%
7 GRIN3A Q8TCU5 Glutamate receptor ionotropic, NMDA 3A hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA 13.1%
8 GAPDH P04406 Glyceraldehyde-3-phosphate dehydrogenase hsa00010; hsa01100; hsa01200; hsa01230; hsa04066; hsa05010 1U8F; 1ZNQ; 2FEH; 3GPD; 4WNC; 4WNI 12.8%
9 GABRA1 P14867 Gamma-aminobutyric acid receptor subunit alpha-1 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 12.7%
10 CHRNA1 P02708 Acetylcholine receptor subunit alpha hsa04080 1Y5P; 1Y5T; 1Y6C; 4ZJS 12.4%
11 GOT2 P00505 Aspartate aminotransferase, mitochondrial hsa00220; hsa00250; hsa00270; hsa00330; hsa00350; hsa00360; hsa00400; hsa01100; hsa01200; hsa01210; hsa01230; hsa04975 NA 12.3%
12 GABRA4 P48169 Gamma-aminobutyric acid receptor subunit alpha-4 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 12.1%
13 GABRQ Q9UN88 Gamma-aminobutyric acid receptor subunit theta hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 11.9%
14 CMA1 P23946 Chymase hsa04614 1KLT; 1NN6; 1PJP; 1T31; 2HVX; 3N7O; 3S0N; 4AFQ; 4AFS; 4AFU; 4AFZ; 4AG1; 4AG2; 4K2Y; 4K5Z; 4K60; 4K69; 4KP0 11.8%
15 PRLR P16471 Prolactin receptor hsa04060; hsa04080; hsa04151; hsa04630; hsa04917 1BP3; 2LFG; 3D48; 3MZG; 3N06; 3N0P; 3NCB; 3NCC; 3NCE; 3NCF; 4I18 11.8%
16 GABRG2 P18507 Gamma-aminobutyric acid receptor subunit gamma-2 hsa04080; hsa04723; hsa04727; hsa05032; hsa05033 NA 11.8%
17 MAOB P27338 Amine oxidase [flavin-containing] B hsa00260; hsa00330; hsa00340; hsa00350; hsa00360; hsa00380; hsa00982; hsa01100; hsa04726; hsa04728; hsa05030; hsa05031; hsa05034 11.7%
18 GABRA6 Q16445 Gamma-aminobutyric acid receptor subunit alpha-6 hsa04080; hsa04723; hsa04727; hsa04742; hsa05032; hsa05033 NA 11.5%
19 THRB P10828 Thyroid hormone receptor beta hsa04080; hsa04919 1BSX; 1N46; 1NAX; 1NQ0; 1NQ1; 1NQ2; 1NUO; 1Q4X; 1R6G; 1XZX; 1Y0X; 2J4A; 2NLL; 2PIN; 3D57; 3GWS; 3IMY; 3JZC; 4ZO1 11.4%
20 GHRHR Q02643 Growth hormone-releasing hormone receptor hsa04080 2XDG 11.3%


  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.