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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: DB07701
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB07701 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE Thumb


1 known interactions (targets) of input drug (DB07701): 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE
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 (DB07701): 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 BCHE P06276 Cholinesterase NA 27.5%
2 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 19.3%
3 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X 17.0%
4 CHRNA2 Q15822 Neuronal acetylcholine receptor subunit alpha-2 hsa04080 NA 16.2%
5 THRA P10827 Thyroid hormone receptor alpha hsa04080; hsa04919 1NAV; 2H77; 2H79; 3HZF; 3ILZ; 3JZB; 4LNW; 4LNX 14.0%
6 PDXK O00764 Pyridoxal kinase hsa00750; hsa01100 2AJP; 2F7K; 2YXT; 2YXU; 3FHX; 3FHY; 3KEU; 4EN4; 4EOH 14.0%
7 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 13.4%
8 CACNA1H O95180 Voltage-dependent T-type calcium channel subunit alpha-1H hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04934 NA 13.3%
9 VDR P11473 Vitamin D3 receptor hsa04928; hsa04961; hsa04978; hsa05152 12.6%
10 CACNA1A O00555 Voltage-dependent P/Q-type calcium channel subunit alpha-1A hsa04010; hsa04020; hsa04721; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04730; hsa04742; hsa04930; hsa05032; hsa05033 3BXK 12.0%
11 CACNA1I Q9P0X4 Voltage-dependent T-type calcium channel subunit alpha-1I hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04934 NA 11.8%
12 TF P02787 Serotransferrin hsa04066; hsa04216; hsa04978 11.6%
13 AKT1 P31749 RAC-alpha serine/threonine-protein kinase hsa01521; hsa01522; hsa01524; hsa04010; hsa04012; hsa04014; hsa04015; hsa04022; hsa04024; hsa04062; hsa04066; hsa04068; hsa04071; hsa04072; hsa04140; hsa04150; hsa04151; hsa04152; hsa04210; hsa04211; hsa04213; hsa04218; hsa04261; hsa04370; hsa04371; hsa04380; hsa04510; hsa04550; hsa04611; hsa04620; hsa04625; hsa04630; hsa04660; hsa04662; hsa04664; hsa04666; hsa04668; hsa04722; hsa04725; hsa04728; hsa04910; hsa04914; hsa04915; hsa04917; hsa04919; hsa04920; hsa04922; hsa04923; hsa04926; hsa04931; hsa04932; hsa04933; hsa04973; hsa05142; hsa05145; hsa05152; hsa05160; hsa05161; hsa05162; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05169; hsa05170; hsa05200; hsa05205; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05220; hsa05221; hsa05222; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231; hsa05418 11.4%
14 PLAT P00750 Tissue-type plasminogen activator hsa04371; hsa04610; hsa05202; hsa05215; hsa05418 1A5H; 1BDA; 1PK2; 1PML; 1RTF; 1TPG; 1TPK; 1TPM; 1TPN; 5BRR 11.1%
15 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 10.5%
16 ADRA2A P08913 Alpha-2A adrenergic receptor hsa04022; hsa04080 1HLL; 1HO9; 1HOD; 1HOF 10.5%
17 SULT2A1 Q06520 Bile salt sulfotransferase hsa00980; hsa04976; hsa05204 1EFH; 1J99; 1OV4; 2QP3; 2QP4; 3F3Y; 4IFB 10.4%
18 CYB5A P00167 Cytochrome b5 NA 2I96 10.3%
19 ADSSL1 Q8N142 Adenylosuccinate synthetase isozyme 1 hsa00230; hsa00250; hsa01100 2GJO 10.2%
20 YARS P54577 Tyrosine--tRNA ligase, cytoplasmic hsa00970 1N3L; 1NTG; 1Q11; 4Q93; 4QBT 10.0%


  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.