QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P09960

No. Gene UniProt ID Protein Name Pathway PDB

1 LTA4H P09960 Leukotriene A-4 hydrolase hsa00590; hsa01100
1GW6; 1H19; 1HS6; 1SQM; 2R59; 2VJ8; 3B7R; 3B7S; 3B7T; 3B7U; 3CHO; 3CHP; 3CHQ; 3CHR; 3CHS; 3FH5; 3FH7; 3FH8; 3FHE; 3FTS; 3FTU; 3FTV; 3FTW; 3FTX; 3FTY; 3FTZ; 3FU0; 3FU3; 3FU5; 3FU6; 3FUD; 3FUE; 3FUF; 3FUH; 3FUI; 3FUJ; 3FUK; 3FUL; 3FUM; 3FUN; 3U9W; 4DPR; 4L2L; 4MKT; 4MS6; 5AEN

22 known interactions (drugs) of input target (LTA4H): Leukotriene A-4 hydrolase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB02352	3-(Benzyloxy)Pyridin-2-Amine	NC1=NC=CC=C1OCC1=CC=CC=C1
2	Approved	SmallMoleculeDrug	DB01197	Captopril	C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
3	Experimental; Investigational	SmallMoleculeDrug	DB03366	Imidazole	N1C=CN=C1
4	Experimental	SmallMoleculeDrug	DB08466	5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol	OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1
5	Experimental	SmallMoleculeDrug	DB02062	N-[3-[(1-Aminoethyl)(Hydroxy)Phosphoryl]-2-(1,1'-Biphenyl-4-Ylmethyl)Propanoyl]Alanine	[H][C@@](C)(N)[P@](O)(=O)C[C@@]([H])(CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)N[C@@]([H])(C)C(O)=O
6	Experimental; Investigational	SmallMoleculeDrug	DB03424	Ubenimex	[H][C@@](N)(CC1=CC=CC=C1)[C@]([H])(O)C(O)=N[C@@]([H])(CC(C)C)C(O)=O
7	Experimental	SmallMoleculeDrug	DB07260	N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline	[H][C@]1(COC2=CC=C(NCC3=CC=CC=C3)C=C2)CCCN1
8	Experimental	SmallMoleculeDrug	DB07237	{4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone	[H][C@]1(COC2=CC=C(C=C2)C(=O)C2=CC=C(C=C2)C2=CSC=C2)CCCN1
9	Experimental	SmallMoleculeDrug	DB07196	N-methyl-1-(2-thiophen-2-ylphenyl)methanamine	CNCC1=CC=CC=C1C1=CC=CS1
10	Experimental	SmallMoleculeDrug	DB07104	4-amino-N-[4-(benzyloxy)phenyl]butanamide	NCCCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1
11	Experimental	SmallMoleculeDrug	DB07094	1-(2,2'-bithiophen-5-yl)methanamine	NCC1=CC=C(S1)C1=CC=CS1
12	Experimental	SmallMoleculeDrug	DB08040	N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-alanine	[H][C@@](C)(NC(=O)[C@@]([H])(CC(=O)NO)CC1=CC=CC=C1)C(O)=O
13	Experimental	SmallMoleculeDrug	DB07259	1-(4-thiophen-2-ylphenyl)methanamine	NCC1=CC=C(C=C1)C1=CC=CS1
14	Experimental	SmallMoleculeDrug	DB06851	N-(pyridin-3-ylmethyl)aniline	C(NC1=CC=CC=C1)C1=CC=CN=C1
15	Investigational	SmallMoleculeDrug	DB11781	Tosedostat	CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)C1=CC=CC=C1
16	Experimental	SmallMoleculeDrug	DB06828	5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole	C(CN1C=CC=C1)OC1=CC2=C(NC=C2)C=C1
17	Investigational	SmallMoleculeDrug	DB05177	DG051	NA
18	Experimental	SmallMoleculeDrug	DB07102	(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid	[H][C@](N)(CCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1)C(O)=O
19	Experimental	SmallMoleculeDrug	DB07099	N-[4-(benzyloxy)phenyl]glycinamide	NCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1
20	Experimental	SmallMoleculeDrug	DB07258	(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol	[H][C@](O)(C1=CC=NC=C1)C1=CC=C(OCCN2CCCC2)C=C1
21	Experimental	SmallMoleculeDrug	DB06917	(4-fluorophenyl)(pyridin-4-yl)methanone	FC1=CC=C(C=C1)C(=O)C1=CC=NC=C1
22	Experimental	SmallMoleculeDrug	DB07292	4-(2-amino-1,3-thiazol-4-yl)phenol	NC1=NC(=CS1)C1=CC=C(O)C=C1

20 predicted interactions (drugs) of input target (LTA4H): Leukotriene A-4 hydrolase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Investigational	SmallMoleculeDrug	DB12010	Fostamatinib	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC	50.3%
2	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	30.7%
3	Approved; Investigational	SmallMoleculeDrug	DB00313	Valproic Acid	CCCC(CCC)C(O)=O	30.2%
4	Approved	BiotechDrug	DB11294	Coccidioides immitis spherule	NA	30.0%
5	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	28.2%
6	Experimental	SmallMoleculeDrug	DB03951	N-acetyl-D-glucosamine-6-phosphate	CC(=O)N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O	28.2%
7	Experimental	SmallMoleculeDrug	DB03777	Rbt205 Inhibitor	CN(C)CCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2	28.0%
8	Approved; Investigational	SmallMoleculeDrug	DB02325	Isopropyl Alcohol	CC(C)O	27.0%
9	Approved; Investigational	SmallMoleculeDrug	DB00747	Scopolamine	CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1	26.6%
10	Approved; Experimental	SmallMoleculeDrug	DB03796	Palmitic Acid	CCCCCCCCCCCCCCCC(O)=O	26.6%
11	Experimental	SmallMoleculeDrug	DB01809	1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine	CC1=CC=C(C=C1)C1=NN(C2=C1C(N)=NC=N2)C(C)(C)C	26.2%
12	Experimental	SmallMoleculeDrug	DB08231	Myristic acid	CCCCCCCCCCCCCC(O)=O	26.0%
13	Approved	SmallMoleculeDrug	DB11348	Calcium Phosphate	[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O	26.0%
14	Approved	SmallMoleculeDrug	DB00675	Tamoxifen	CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1	25.8%
15	Experimental	SmallMoleculeDrug	DB04530	S,S-(2-Hydroxyethyl)Thiocysteine	N[C@@H](CSSCCO)C(O)=O	25.5%
16	Investigational	SmallMoleculeDrug	DB08846	Ellagic Acid	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2	24.5%
17	Approved; Investigational	SmallMoleculeDrug	DB00605	Sulindac	CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)=O	23.9%
18	Experimental	SmallMoleculeDrug	DB04522	Dexfosfoserine	N[C@@H](COP(O)(O)=O)C(O)=O	23.8%
19	Approved; Investigational	SmallMoleculeDrug	DB01254	Dasatinib	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1	23.3%
20	Approved; Nutraceutical	SmallMoleculeDrug	DB00173	Adenine	NC1=C2NC=NC2=NC=N1	23.0%