QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P15391

No. Gene UniProt ID Protein Name Pathway PDB

1 CD19 P15391 B-lymphocyte antigen CD19 hsa04151; hsa04640; hsa04662; hsa05169; hsa05340 NA

4 known interactions (drugs) of input target (CD19): B-lymphocyte antigen CD19

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Approved; Investigational	BiotechDrug	DB13881	Tisagenlecleucel	NA
2	Approved	BiotechDrug	DB13915	Axicabtagene ciloleucel	NA
3	Approved; Investigational	BiotechDrug	DB09052	Blinatumomab	NA
4	Investigational	BiotechDrug	DB06342	Coltuximab ravtansine	NA

20 predicted interactions (drugs) of input target (CD19): B-lymphocyte antigen CD19

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Investigational	SmallMoleculeDrug	DB09130	Copper	[Cu]	35.7%
2	Approved; Investigational	SmallMoleculeDrug	DB04540	Cholesterol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C	25.7%
3	Approved; Investigational	SmallMoleculeDrug	DB11638	Artenimol	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C([H])(O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4	25.7%
4	Experimental	SmallMoleculeDrug	DB02379	Beta-D-Glucose	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	24.4%
5	Approved; Nutraceutical	SmallMoleculeDrug	DB00149	L-Leucine	CC(C)C[C@H](N)C(O)=O	20.9%
6	Experimental; Investigational	SmallMoleculeDrug	DB03496	Alvocidib	CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl	16.8%
7	Experimental; Illicit	SmallMoleculeDrug	DB01565	Dihydromorphine	[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2O	16.0%
8	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00167	L-Isoleucine	CC[C@H](C)[C@H](N)C(O)=O	16.0%
9	Approved	SmallMoleculeDrug	DB03147	Flavin adenine dinucleotide	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2	15.9%
10	Experimental	SmallMoleculeDrug	DB02153	3-Sulfinoalanine	N[C@@H](C[S@@](O)=O)C(O)=O	15.8%
11	Approved	SmallMoleculeDrug	DB00973	Ezetimibe	O[C@@H](CC[C@@H]1[C@H](N(C1=O)C1=CC=C(F)C=C1)C1=CC=C(O)C=C1)C1=CC=C(F)C=C1	15.6%
12	Experimental	SmallMoleculeDrug	DB03435	Uridine-5'-Diphosphate	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O	15.0%
13	Experimental	SmallMoleculeDrug	DB03389	alpha-D-Xylopyranose	O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O	15.0%
14	Experimental; Investigational	SmallMoleculeDrug	DB02424	Geldanamycin	[H]/C1=C([H])/[C@]([H])(OC)[C@@]([H])(OC(O)=N)\C(C)=C([H])\[C@]([H])(C)[C@@]([H])(O)[C@]([H])(C[C@]([H])(C)CC2=C(OC)C(=O)C=C(N=C(O)\C(C)=C\1/[H])C2=O)OC	14.9%
15	Experimental	SmallMoleculeDrug	DB02935	Diglyme	COCCOCCOC	14.9%
16	Approved	SmallMoleculeDrug	DB00836	Loperamide	CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1	14.8%
17	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00119	Pyruvic acid	CC(=O)C(O)=O	14.6%
18	Approved; Vet approved	SmallMoleculeDrug	DB00417	Phenoxymethylpenicillin	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC1=CC=CC=C1)C(O)=O	14.5%
19	Experimental	SmallMoleculeDrug	DB08848	Guvacine	OC(=O)C1=CCCNC1	14.2%
20	Investigational	SmallMoleculeDrug	DB14050	Cannabidivarin	[H][C@]1(CCC(C)=C[C@H]1C1=C(O)C=C(CCC)C=C1O)C(C)=C	13.8%