QuartataWeb 1.0

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	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	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
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	Approved; Investigational	SmallMoleculeDrug	DB09130	Copper	[Cu]
10	Approved	SmallMoleculeDrug	DB06154	Pentaerythritol Tetranitrate	[O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O
11	Approved; Vet approved	SmallMoleculeDrug	DB00893	Iron Dextran	NA
12	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
13	Experimental	SmallMoleculeDrug	DB02126	4-Carboxycinnamic Acid	OC(=O)\C=C\C1=CC=C(C=C1)C(O)=O
14	Experimental	SmallMoleculeDrug	DB08632	1,3,5-BENZENETRICARBOXYLIC ACID	OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O
15	Experimental	SmallMoleculeDrug	DB07645	SEBACIC ACID	OC(=O)CCCCCCCCC(O)=O
16	Experimental	SmallMoleculeDrug	DB07428	4-[(5-methoxy-2-methylphenoxy)methyl]pyridine	COC1=CC(OCC2=CC=NC=C2)=C(C)C=C1
17	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 predicted interactions (drugs) of input target (HBB): Hemoglobin subunit beta

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved	SmallMoleculeDrug	DB01592	Iron	[Fe]	57.1%
2	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	56.1%
3	Approved; Investigational	SmallMoleculeDrug	DB00358	Mefloquine	OC(C1CCCCN1)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F	54.3%
4	Approved	BiotechDrug	DB00031	Tenecteplase	NA	27.6%
5	Approved; Nutraceutical	SmallMoleculeDrug	DB00149	L-Leucine	CC(C)C[C@H](N)C(O)=O	25.0%
6	Approved; Investigational	SmallMoleculeDrug	DB02325	Isopropyl Alcohol	CC(C)O	24.2%
7	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	23.6%
8	Approved; Investigational; Withdrawn	BiotechDrug	DB00055	Drotrecogin alfa	NA	23.6%
9	Approved	BiotechDrug	DB06404	Human C1-esterase inhibitor	NA	23.5%
10	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB00145	Glycine	NCC(O)=O	22.9%
11	Investigational	SmallMoleculeDrug	DB05885	Seletracetam	CC[C@H](N1C[C@@H](CC1=O)C=C(F)F)C(N)=O	22.3%
12	Investigational	BiotechDrug	DB06245	Lanoteplase	NA	21.6%
13	Approved; Investigational	BiotechDrug	DB09228	Conestat alfa	NA	20.6%
14	Approved	BiotechDrug	DB05341	C1-INH	NA	20.1%
15	Approved; Nutraceutical	SmallMoleculeDrug	DB14006	Choline salicylate	C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O	20.1%
16	Experimental	SmallMoleculeDrug	DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O	20.1%
17	Approved; Investigational	BiotechDrug	DB11300	Thrombin	NA	19.3%
18	Approved	SmallMoleculeDrug	DB00441	Gemcitabine	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F	19.2%
19	Approved; Investigational	BiotechDrug	DB13998	Lonoctocog alfa	NA	19.1%
20	Approved; Investigational	SmallMoleculeDrug	DB00242	Cladribine	NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1	19.1%