QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P23434

No. Gene UniProt ID Protein Name Pathway PDB

1 GCSH P23434 Glycine cleavage system H protein, mitochondrial hsa00260; hsa00630; hsa01100; hsa01200 NA

3 known interactions (drugs) of input target (GCSH): Glycine cleavage system H protein, mitochondrial

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB03760	Dihydrolipoic Acid	[H][C@](S)(CCS)CCCCC(O)=O
2	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB00145	Glycine	NCC(O)=O
3	Experimental	SmallMoleculeDrug	DB03187	6-(Hydroxyethyldithio)-8-(Aminomethylthio)Octanoic Acid	[H][C@](CCCCC(O)=O)(CCSCN)SSCCO

20 predicted interactions (drugs) of input target (GCSH): Glycine cleavage system H protein, mitochondrial

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Experimental	SmallMoleculeDrug	DB03758	Radicicol	[H]/C1=C([H])\C(=O)CC2=C(C(O)=CC(O)=C2Cl)C(=O)O[C@]([H])(C)C[C@@]2([H])O[C@]2([H])/C([H])=C\1/[H]	39.9%
2	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00114	Pyridoxal Phosphate	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O	26.2%
3	Nutraceutical	SmallMoleculeDrug	DB00116	Tetrahydrofolic acid	NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1	21.6%
4	Experimental	SmallMoleculeDrug	DB08231	Myristic acid	CCCCCCCCCCCCCC(O)=O	17.6%
5	Approved; Investigational	SmallMoleculeDrug	DB01593	Zinc	[Zn]	16.8%
6	Investigational	SmallMoleculeDrug	DB12695	Phenethyl Isothiocyanate	S=C=NCCC1=CC=CC=C1	16.7%
7	Approved; Nutraceutical	SmallMoleculeDrug	DB00142	Glutamic Acid	N[C@@H](CCC(O)=O)C(O)=O	16.4%
8	Approved; Investigational	SmallMoleculeDrug	DB08889	Carfilzomib	CC(C)C[C@H](NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1	16.2%
9	Approved; Investigational	SmallMoleculeDrug	DB06595	Midostaurin	CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O)N(C)C(=O)C1=CC=CC=C1	16.1%
10	Experimental	SmallMoleculeDrug	DB08348	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	CN(C)CC(=O)NC1=CC2=C(NC(=O)C3=CC=CC=C23)C=C1	15.8%
11	Investigational	BiotechDrug	DB06245	Lanoteplase	NA	15.7%
12	Approved; Nutraceutical	SmallMoleculeDrug	DB00157	NADH	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O	15.5%
13	Approved; Nutraceutical	SmallMoleculeDrug	DB00138	Cystine	N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O	14.8%
14	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00131	Adenosine monophosphate	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1	14.7%
15	Approved	SmallMoleculeDrug	DB01197	Captopril	C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O	14.5%
16	Approved; Investigational	BiotechDrug	DB00028	Immune Globulin Human	NA	14.5%
17	Approved; Investigational	BiotechDrug	DB00005	Etanercept	NA	14.5%
18	Approved	BiotechDrug	DB11572	Thrombin Alfa	NA	14.0%
19	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	13.9%
20	Approved; Investigational	BiotechDrug	DB11300	Thrombin	NA	13.4%