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: P68871
No. Gene UniProt ID Protein Name Pathway PDB
1 HBB P68871 Hemoglobin subunit beta hsa05143; hsa05144
1A00; 1A01; 1A0U; 1A0Z; 1A3N; 1A3O; 1ABW; 1ABY; 1AJ9; 1B86; 1BAB; 1BBB; 1BIJ; 1BUW; 1BZ0; 1BZ1; 1BZZ; 1C7B; 1C7C; 1C7D; 1CBL; 1CBM; 1CH4; 1CLS; 1CMY; 1COH; 1DKE; 1DXT; 1DXU; 1DXV; 1FN3; 1G9V; 1GBU; 1GBV; 1GLI; 1GZX; 1HAB; 1HAC; 1HBA; 1HBB; 1HBS; 1HCO; 1HDB; 1HGA; 1HGB; 1HGC; 1HHO; 1IRD; 1J3Y; 1J3Z; 1J40; 1J41; 1J7S; 1J7W; 1J7Y; 1JY7; 1K0Y; 1K1K; 1KD2; 1LFL; 1LFQ; 1LFT; 1LFV; 1LFY; 1LFZ; 1LJW; 1M9P; 1MKO; 1NEJ; 1NIH; 1NQP; 1O1I; 1O1J; 1O1K; 1O1L; 1O1M; 1O1N; 1O1O; 1O1P; 1QI8; 1QSH; 1QSI; 1QXD; 1QXE; 1R1X; 1R1Y; 1RPS; 1RQ3; 1RQ4; 1RQA; 1RVW; 1SDK; 1SDL; 1THB; 1UIW; 1VWT; 1XXT; 1XY0; 1XYE; 1XZ2; 1XZ4; 1XZ5; 1XZ7; 1XZU; 1XZV; 1Y09; 1Y0A; 1Y0C; 1Y0D; 1Y0T; 1Y0W; 1Y22; 1Y2Z; 1Y31; 1Y35; 1Y45; 1Y46; 1Y4B; 1Y4F; 1Y4G; 1Y4P; 1Y4Q; 1Y4R; 1Y4V; 1Y5F; 1Y5J; 1Y5K; 1Y7C; 1Y7D; 1Y7G; 1Y7Z; 1Y83; 1Y85; 1Y8W; 1YDZ; 1YE0; 1YE1; 1YE2; 1YEN; 1YEO; 1YEQ; 1YEU; 1YEV; 1YFF; 1YG5; 1YGD; 1YGF; 1YH9; 1YHE; 1YHR; 1YIE; 1YIH; 1YVQ; 1YVT; 1YZI; 2D5Z; 2D60; 2DN1; 2DN2; 2DN3; 2DXM; 2H35; 2HBC; 2HBD; 2HBE; 2HBF; 2HBS; 2HCO; 2HHB; 2HHD; 2HHE; 2M6Z; 2W6V; 2W72; 2YRS; 3B75; 3D17; 3D7O; 3DUT; 3HHB; 3HXN; 3IC0; 3IC2; 3KMF; 3NL7; 3NMM; 3ODQ; 3ONZ; 3OO4; 3OO5; 3P5Q; 3QJB; 3QJC; 3QJD; 3QJE; 3R5I; 3S65; 3S66; 3SZK; 3W4U; 3WCP; 3WHM; 4FC3; 4HHB; 4IJ2; 4L7Y; 4M4A; 4M4B; 4MQC; 4MQG; 4MQH; 4MQI; 4N7N; 4N7O; 4N7P; 4N8T; 4NI0; 4NI1; 4ROL; 4ROM; 4WJG; 4X0I; 4X0L; 4XS0; 5E29; 5E6E; 5EE4; 6HBW

17 known interactions (drugs) of input target (HBB): Hemoglobin subunit beta
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Experimental SmallMoleculeDrug DB07427 2-[(2-methoxy-5-methylphenoxy)methyl]pyridine Thumb
2 Approved SmallMoleculeDrug DB09517 Sodium ferric gluconate complex Thumb
3 Investigational SmallMoleculeDrug DB08486 Efaproxiral Thumb
4 Approved;
SmallMoleculeDrug DB09112 Nitrous acid Thumb
6 Approved;
SmallMoleculeDrug DB01593 Zinc Thumb
7 Approved;
Vet approved
SmallMoleculeDrug DB09140 Oxygen Thumb
8 Experimental SmallMoleculeDrug DB08262 2,6-dicarboxynaphthalene Thumb
9 Approved;
SmallMoleculeDrug DB09130 Copper Thumb
10 Approved SmallMoleculeDrug DB06154 Pentaerythritol Tetranitrate Thumb
11 Approved;
Vet approved
SmallMoleculeDrug DB00893 Iron Dextran Thumb
12 Experimental SmallMoleculeDrug DB09147 Ferric pyrophosphate Thumb
13 Experimental SmallMoleculeDrug DB02126 4-Carboxycinnamic Acid Thumb
14 Experimental SmallMoleculeDrug DB08632 1,3,5-BENZENETRICARBOXYLIC ACID Thumb
15 Experimental SmallMoleculeDrug DB07645 SEBACIC ACID Thumb
16 Experimental SmallMoleculeDrug DB07428 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine Thumb
17 Approved;
SmallMoleculeDrug DB13995 Ferric pyrophosphate citrate Thumb

20 predicted interactions (drugs) of input target (HBB): Hemoglobin subunit beta
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved SmallMoleculeDrug DB01592 Iron Thumb 57.1%
2 Approved SmallMoleculeDrug DB09146 Iron saccharate Thumb 56.1%
3 Approved;
SmallMoleculeDrug DB00358 Mefloquine Thumb 54.3%
4 Approved BiotechDrug DB00031 Tenecteplase Thumb 27.6%
5 Approved;
SmallMoleculeDrug DB00149 L-Leucine Thumb 25.0%
6 Approved;
SmallMoleculeDrug DB02325 Isopropyl Alcohol Thumb 24.2%
7 Experimental SmallMoleculeDrug DB02285 Protoporphyrin Thumb 23.6%
8 Approved;
BiotechDrug DB00055 Drotrecogin alfa Thumb 23.6%
9 Approved BiotechDrug DB06404 Human C1-esterase inhibitor Thumb 23.5%
10 Approved;
Vet approved
SmallMoleculeDrug DB00145 Glycine Thumb 22.9%
11 Investigational SmallMoleculeDrug DB05885 Seletracetam Thumb 22.3%
12 Investigational BiotechDrug DB06245 Lanoteplase Thumb 21.6%
13 Approved;
BiotechDrug DB09228 Conestat alfa Thumb 20.6%
14 Approved BiotechDrug DB05341 C1-INH Thumb 20.1%
15 Approved;
SmallMoleculeDrug DB14006 Choline salicylate Thumb 20.1%
16 Experimental SmallMoleculeDrug DB04395 Phosphoaminophosphonic Acid-Adenylate Ester Thumb 20.1%
17 Approved;
BiotechDrug DB11300 Thrombin Thumb 19.3%
18 Approved SmallMoleculeDrug DB00441 Gemcitabine Thumb 19.2%
19 Approved;
BiotechDrug DB13998 Lonoctocog alfa Thumb 19.1%
20 Approved;
SmallMoleculeDrug DB00242 Cladribine Thumb 19.1%


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.


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.