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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: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P13569
No. Gene UniProt ID Protein Name Pathway PDB
1 CFTR P13569 Cystic fibrosis transmembrane conductance regulator hsa02010; hsa04024; hsa04152; hsa04530; hsa04971; hsa04972; hsa04976; hsa05110 1NBD; 1XMI; 1XMJ; 2BBO; 2BBS; 2BBT; 2LOB; 2PZE; 2PZF; 2PZG; 3GD7; 3ISW


13 known interactions (drugs) of input target (CFTR): Cystic fibrosis transmembrane conductance regulator
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved SmallMoleculeDrug DB04941 Crofelemer Thumb
2 Experimental SmallMoleculeDrug DB04522 Dexfosfoserine Thumb
3 Experimental SmallMoleculeDrug DB04395 Phosphoaminophosphonic Acid-Adenylate Ester Thumb
4 Approved SmallMoleculeDrug DB08820 Ivacaftor Thumb
5 Investigational SmallMoleculeDrug DB06266 Lonidamine Thumb
6 Approved SmallMoleculeDrug DB01050 Ibuprofen Thumb
7 Approved SmallMoleculeDrug DB09280 Lumacaftor Thumb
8 Approved;
Investigational
SmallMoleculeDrug DB11712 Tezacaftor Thumb
9 Approved SmallMoleculeDrug DB00887 Bumetanide Thumb
10 Approved SmallMoleculeDrug DB01016 Glyburide Thumb
11 Experimental;
Investigational
SmallMoleculeDrug DB02587 Colforsin Thumb
12 Approved;
Investigational
SmallMoleculeDrug DB09213 Dexibuprofen Thumb
13 Investigational;
Nutraceutical
SmallMoleculeDrug DB00171 ATP Thumb


20 predicted interactions (drugs) of input target (CFTR): Cystic fibrosis transmembrane conductance regulator
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
Investigational
SmallMoleculeDrug DB12010 Fostamatinib Thumb 36.1%
2 Approved;
Experimental;
Investigational
SmallMoleculeDrug DB02709 Resveratrol Thumb 33.4%
3 Experimental SmallMoleculeDrug DB04315 Guanosine-5'-Diphosphate Thumb 30.0%
4 Experimental SmallMoleculeDrug DB02379 Beta-D-Glucose Thumb 26.4%
5 Approved SmallMoleculeDrug DB00233 Aminosalicylic Acid Thumb 25.1%
6 Experimental SmallMoleculeDrug DB02007 alpha-D-glucose 6-phosphate Thumb 23.3%
7 Approved;
Investigational
SmallMoleculeDrug DB00839 Tolazamide Thumb 23.3%
8 Approved;
Investigational;
Nutraceutical
SmallMoleculeDrug DB00131 Adenosine monophosphate Thumb 22.5%
9 Experimental SmallMoleculeDrug DB01863 Inositol 1,3,4,5-Tetrakisphosphate Thumb 22.4%
10 Approved;
Investigational
SmallMoleculeDrug DB12007 Isoflavone Thumb 22.3%
11 Approved;
Investigational
SmallMoleculeDrug DB00731 Nateglinide Thumb 21.7%
12 Experimental SmallMoleculeDrug DB02079 Aminooxyacetic acid Thumb 21.3%
13 Approved SmallMoleculeDrug DB00222 Glimepiride Thumb 21.2%
14 Experimental SmallMoleculeDrug DB02010 Staurosporine Thumb 20.7%
15 Experimental SmallMoleculeDrug DB14034 Darglitazone Thumb 20.3%
16 Approved;
Investigational
SmallMoleculeDrug DB01252 Mitiglinide Thumb 20.2%
17 Approved;
Investigational
SmallMoleculeDrug DB01014 Balsalazide Thumb 20.2%
18 Approved;
Investigational
SmallMoleculeDrug DB01370 Aluminium Thumb 20.0%
19 Investigational;
Withdrawn
SmallMoleculeDrug DB00197 Troglitazone Thumb 19.9%
20 Experimental SmallMoleculeDrug DB08322 2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-L-THREO-PENTARIC ACID Thumb 19.2%



  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.