QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics

 

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: Q07869
No. Gene UniProt ID Protein Name Pathway PDB
1 PPARA Q07869 Peroxisome proliferator-activated receptor alpha hsa03320; hsa04024; hsa04920; hsa04922; hsa04931; hsa04932; hsa05160 1I7G; 1K7L; 1KKQ; 2NPA; 2P54; 2REW; 2ZNN; 3ET1; 3FEI; 3G8I; 3KDT; 3KDU; 3SP6; 3VI8; 4BCR; 4CI4


45 known interactions (drugs) of input target (PPARA): Peroxisome proliferator-activated receptor alpha
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Investigational SmallMoleculeDrug DB06521 Ertiprotafib Thumb
2 Approved SmallMoleculeDrug DB01039 Fenofibrate Thumb
3 Approved;
Investigational
SmallMoleculeDrug DB09064 Ciprofibrate Thumb
4 Approved;
Nutraceutical
SmallMoleculeDrug DB13961 Fish oil Thumb
5 Investigational SmallMoleculeDrug DB05416 GW-501516 Thumb
6 Investigational SmallMoleculeDrug DB04971 Reglixane Thumb
7 Experimental SmallMoleculeDrug DB07724 Indeglitazar Thumb
8 Investigational SmallMoleculeDrug DB06510 Muraglitazar Thumb
9 Experimental SmallMoleculeDrug DB04557 Arachidonic Acid Thumb
10 Approved;
Investigational
SmallMoleculeDrug DB00412 Rosiglitazone Thumb
11 Approved;
Experimental
SmallMoleculeDrug DB03796 Palmitic Acid Thumb
12 Investigational SmallMoleculeDrug DB06533 Ragaglitazar Thumb
13 Approved;
Investigational
SmallMoleculeDrug DB00328 Indomethacin Thumb
14 Approved SmallMoleculeDrug DB13873 Fenofibric acid Thumb
15 Approved SmallMoleculeDrug DB00573 Fenoprofen Thumb
16 Experimental SmallMoleculeDrug DB02746 Phthalic Acid Thumb
17 Approved SmallMoleculeDrug DB01241 Gemfibrozil Thumb
18 Experimental SmallMoleculeDrug DB02266 Flufenamic Acid Thumb
19 Approved;
Experimental;
Investigational
SmallMoleculeDrug DB02709 Resveratrol Thumb
20 Approved;
Investigational
SmallMoleculeDrug DB03756 Doconexent Thumb
21 Approved;
Investigational
SmallMoleculeDrug DB01393 Bezafibrate Thumb
22 Experimental SmallMoleculeDrug DB01890 N,N-Bis(3-(D-gluconamido)propyl)deoxycholamide Thumb
23 Approved;
Nutraceutical
SmallMoleculeDrug DB11133 Omega-3 fatty acids Thumb
24 Investigational SmallMoleculeDrug DB06536 Tesaglitazar Thumb
25 Investigational SmallMoleculeDrug DB08915 Aleglitazar Thumb
26 Approved;
Nutraceutical
SmallMoleculeDrug DB00132 Alpha-Linolenic Acid Thumb
27 Approved;
Investigational;
Nutraceutical
SmallMoleculeDrug DB01708 Prasterone Thumb
28 Investigational;
Withdrawn
SmallMoleculeDrug DB00197 Troglitazone Thumb
29 Investigational SmallMoleculeDrug DB12961 Leukotriene B4 Thumb
30 Approved;
Nutraceutical
SmallMoleculeDrug DB00159 Icosapent Thumb
31 Investigational SmallMoleculeDrug DB05187 Elafibranor Thumb
32 Approved;
Experimental
SmallMoleculeDrug DB03017 Lauric Acid Thumb
33 Approved SmallMoleculeDrug DB09422 Soybean oil Thumb
34 Approved SmallMoleculeDrug DB09006 Clinofibrate Thumb
35 Approved;
Experimental;
Investigational
SmallMoleculeDrug DB04519 Caprylic acid Thumb
36 Approved;
Investigational
SmallMoleculeDrug DB12007 Isoflavone Thumb
37 Experimental SmallMoleculeDrug DB07215 2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID Thumb
38 Approved;
Investigational
SmallMoleculeDrug DB00636 Clofibrate Thumb
39 Approved;
Experimental
SmallMoleculeDrug DB03193 Stearic acid Thumb
40 Approved SmallMoleculeDrug DB11605 Myrrh Thumb
41 Approved SmallMoleculeDrug DB01050 Ibuprofen Thumb
42 Approved;
Investigational
SmallMoleculeDrug DB00313 Valproic Acid Thumb
43 Approved;
Investigational
SmallMoleculeDrug DB01132 Pioglitazone Thumb
44 Experimental SmallMoleculeDrug DB08231 Myristic acid Thumb
45 Approved;
Investigational;
Vet approved
SmallMoleculeDrug DB04224 Oleic Acid Thumb


20 predicted interactions (drugs) of input target (PPARA): Peroxisome proliferator-activated receptor alpha
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
Investigational
SmallMoleculeDrug DB09213 Dexibuprofen Thumb 55.0%
2 Approved;
Investigational
SmallMoleculeDrug DB01014 Balsalazide Thumb 53.7%
3 Experimental SmallMoleculeDrug DB08402 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID Thumb 53.6%
4 Approved SmallMoleculeDrug DB00795 Sulfasalazine Thumb 52.6%
5 Experimental SmallMoleculeDrug DB07863 2-chloro-5-nitro-N-phenylbenzamide Thumb 52.4%
6 Approved;
Investigational
SmallMoleculeDrug DB00605 Sulindac Thumb 51.5%
7 Experimental SmallMoleculeDrug DB07842 (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid Thumb 51.4%
8 Experimental SmallMoleculeDrug DB06908 (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID Thumb 50.2%
9 Experimental SmallMoleculeDrug DB07208 (8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid Thumb 49.3%
10 Approved;
Investigational
SmallMoleculeDrug DB00909 Zonisamide Thumb 48.7%
11 Approved;
Investigational
SmallMoleculeDrug DB08604 Triclosan Thumb 48.2%
12 Experimental SmallMoleculeDrug DB08560 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE Thumb 47.5%
13 Approved SmallMoleculeDrug DB00244 Mesalazine Thumb 46.0%
14 Experimental SmallMoleculeDrug DB07209 (8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid Thumb 45.0%
15 Investigational SmallMoleculeDrug DB12662 Naveglitazar Thumb 44.5%
16 Experimental SmallMoleculeDrug DB07111 (4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid Thumb 44.0%
17 Experimental SmallMoleculeDrug DB08435 (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid Thumb 43.8%
18 Experimental SmallMoleculeDrug DB03600 Capric acid Thumb 43.5%
19 Investigational SmallMoleculeDrug DB05490 T131 Thumb 43.1%
20 Experimental SmallMoleculeDrug DB07509 difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron Thumb 42.9%



  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.