QuartataWeb 1.0

20 known interactions (drugs) of input target (HBA1): Hemoglobin subunit alpha

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB07427	2-[(2-methoxy-5-methylphenoxy)methyl]pyridine	COC1=C(OCC2=NC=CC=C2)C=C(C)C=C1
2	Approved	SmallMoleculeDrug	DB09517	Sodium ferric gluconate complex	[O--].[O--].[O--].[Na+].[Fe+3].[Fe+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
3	Investigational	SmallMoleculeDrug	DB08486	Efaproxiral	CC1=CC(NC(=O)CC2=CC=C(OC(C)(C)C(O)=O)C=C2)=CC(C)=C1
4	Approved; Investigational	SmallMoleculeDrug	DB09112	Nitrous acid	ON=O
5	Approved	SmallMoleculeDrug	DB01592	Iron	[Fe]
6	Approved; Investigational	SmallMoleculeDrug	DB01593	Zinc	[Zn]
7	Approved; Vet approved	SmallMoleculeDrug	DB09140	Oxygen	O=O
8	Experimental	SmallMoleculeDrug	DB08262	2,6-dicarboxynaphthalene	OC(=O)C1=CC2=CC=C(C=C2C=C1)C(O)=O
9	Experimental	SmallMoleculeDrug	DB08077	2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID	CC(C)(OC1=CC=C(NC(=O)NC2=CC(Cl)=CC(Cl)=C2)C=C1)C(O)=O
10	Approved; Investigational	SmallMoleculeDrug	DB09130	Copper	[Cu]
11	Approved	SmallMoleculeDrug	DB06154	Pentaerythritol Tetranitrate	[O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O
12	Approved; Vet approved	SmallMoleculeDrug	DB00893	Iron Dextran	NA
13	Experimental	SmallMoleculeDrug	DB09147	Ferric pyrophosphate	[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O
14	Experimental	SmallMoleculeDrug	DB02126	4-Carboxycinnamic Acid	OC(=O)\C=C\C1=CC=C(C=C1)C(O)=O
15	Approved	SmallMoleculeDrug	DB09146	Iron saccharate	O.O.O.[OH-].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Na+].[Na+].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
16	Experimental	SmallMoleculeDrug	DB08632	1,3,5-BENZENETRICARBOXYLIC ACID	OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O
17	Experimental	SmallMoleculeDrug	DB07645	SEBACIC ACID	OC(=O)CCCCCCCCC(O)=O
18	Experimental	SmallMoleculeDrug	DB07428	4-[(5-methoxy-2-methylphenoxy)methyl]pyridine	COC1=CC(OCC2=CC=NC=C2)=C(C)C=C1
19	Approved; Investigational	SmallMoleculeDrug	DB13995	Ferric pyrophosphate citrate	[Fe+3].[Fe+3].[Fe+3].[Fe+3].OP(O)(=O)OP(O)(O)=O.OP(O)(=O)OP(O)(O)=O.OP([O-])(=O)OP([O-])([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
20	Approved; Investigational	SmallMoleculeDrug	DB00358	Mefloquine	OC(C1CCCCN1)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F

20 predicted interactions (drugs) of input target (HBA1): Hemoglobin subunit alpha

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved	BiotechDrug	DB00031	Tenecteplase	NA	28.6%
2	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00755	Tretinoin	CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O	27.2%
3	Approved	BiotechDrug	DB06404	Human C1-esterase inhibitor	NA	27.1%
4	Approved; Nutraceutical	SmallMoleculeDrug	DB00149	L-Leucine	CC(C)C[C@H](N)C(O)=O	27.0%
5	Approved; Withdrawn	SmallMoleculeDrug	DB11148	Butamben	CCCCOC(=O)C1=CC=C(N)C=C1	24.0%
6	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00114	Pyridoxal Phosphate	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O	24.0%
7	Approved; Investigational; Withdrawn	BiotechDrug	DB00055	Drotrecogin alfa	NA	23.8%
8	Approved; Investigational	BiotechDrug	DB11300	Thrombin	NA	23.3%
9	Approved; Investigational	SmallMoleculeDrug	DB03793	Benzoic Acid	OC(=O)C1=CC=CC=C1	22.6%
10	Approved; Investigational	SmallMoleculeDrug	DB11633	Isavuconazole	[H][C@](C)(C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1	21.9%
11	Investigational	SmallMoleculeDrug	DB05712	AZD-9684	NA	21.5%
12	Approved; Investigational	BiotechDrug	DB09228	Conestat alfa	NA	21.3%
13	Experimental	SmallMoleculeDrug	DB02451	B-nonylglucoside	CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	21.2%
14	Experimental	SmallMoleculeDrug	DB02153	3-Sulfinoalanine	N[C@@H](C[S@@](O)=O)C(O)=O	21.0%
15	Approved	BiotechDrug	DB11311	Prothrombin	NA	20.7%
16	Experimental	SmallMoleculeDrug	DB02285	Protoporphyrin	CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(C=C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C=C)=C4C)/C(C)=C3CCC(O)=O	19.6%
17	Approved; Investigational	BiotechDrug	DB00004	Denileukin diftitox	NA	19.3%
18	Approved	SmallMoleculeDrug	DB01346	Quinidine barbiturate	CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C	19.2%
19	Experimental	SmallMoleculeDrug	DB04447	1,4-Dithiothreitol	O[C@@H](CS)[C@@H](O)CS	19.1%
20	Approved; Investigational	SmallMoleculeDrug	DB08822	Azilsartan medoxomil	CCOC1=NC2=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NOC(=O)N1)C(=CC=C2)C(=O)OCC1=C(C)OC(=O)O1	19.1%