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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: DB00472
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Vet approved
SmallMoleculeDrug DB00472 Fluoxetine Thumb


7 known interactions (targets) of input drug (DB00472): Fluoxetine
No. Gene UniProt ID Protein Name Pathway PDB
1 CHRNA2 Q15822 Neuronal acetylcholine receptor subunit alpha-2 hsa04080 NA
2 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA
3 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA
4 CHRNB4 P30926 Neuronal acetylcholine receptor subunit beta-4 hsa04080; hsa04725 2ASG
5 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA
6 CHRNA3 P32297 Neuronal acetylcholine receptor subunit alpha-3 hsa04080; hsa04725 4ZK4
7 CKS1B P61024 Cyclin-dependent kinases regulatory subunit 1 hsa05200; hsa05222 1BUH; 1DKS; 1DKT; 2ASS; 2AST; 4YC6


20 predicted interactions (targets) of input drug (DB00472): Fluoxetine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 72.2%
2 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 71.1%
3 ADRA2A P08913 Alpha-2A adrenergic receptor hsa04022; hsa04080 1HLL; 1HO9; 1HOD; 1HOF 61.6%
4 SLC6A3 Q01959 Sodium-dependent dopamine transporter hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 61.5%
5 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA 60.2%
6 HTR2B P41595 5-hydroxytryptamine receptor 2B hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 4IB4; 4NC3 59.8%
7 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 55.0%
8 DRD3 P35462 D(3) dopamine receptor hsa04080; hsa04728 3PBL 54.3%
9 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA 53.9%
10 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER 53.4%
11 DRD5 P21918 D(1B) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04728 NA 53.3%
12 ADRA2B P18089 Alpha-2B adrenergic receptor hsa04022; hsa04080 2CVA 52.9%
13 ADRA2C P18825 Alpha-2C adrenergic receptor hsa04022; hsa04080 NA 52.8%
14 DRD1 P21728 D(1A) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034 1OZ5 52.2%
15 HTR1A P08908 5-hydroxytryptamine receptor 1A hsa04024; hsa04080; hsa04726; hsa04742 NA 52.0%
16 SIGMAR1 Q99720 Sigma non-opioid intracellular receptor 1 NA NA 51.9%
17 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN 51.8%
18 HTR7 P34969 5-hydroxytryptamine receptor 7 hsa04014; hsa04020; hsa04080; hsa04726 NA 51.3%
19 HTR1B P28222 5-hydroxytryptamine receptor 1B hsa04024; hsa04080; hsa04726; hsa04742 2G1X; 4IAQ; 4IAR 51.2%
20 CHRM1 P11229 Muscarinic acetylcholine receptor M1 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 NA 50.4%



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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.