Results

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Compound	Target ID	Protein name	Protein family	Gene symbol	Gene ID	Organism	Score	Rank
[1] Untitled Original SMILES: C(C)(=O)O[C@H]1[C@H](OCCC2=CC(=C(C=C2)O)O)O[C@@H]([C@H]([C@@H]1O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O1)C)OC(\C=C\C1=CC(=C(C=C1)O)O)=O)CO Prepared SMILES: OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)OC(=O)C	P27169	Serum paraoxonase/arylesterase 1 (PON 1) (EC 3.1.1.2) (EC 3.1.1.81) (EC ...	Paraoxonase family	PON1	5444;	Homo sapiens (Human)	3.57897	1
	P35372	Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...	G-protein coupled receptor 1 family	OPRM1	4988;	Homo sapiens (Human)	3.32239	2
	P31639	Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...	Sodium:solute symporter (SSF) (TC 2.A.21) family	SLC5A2	6524;	Homo sapiens (Human)	3.19746	3
	P41145	Kappa-type opioid receptor (K-OR-1) (KOR-1)	G-protein coupled receptor 1 family	OPRK1	4986;	Homo sapiens (Human)	3.03756	4
	Q9NY91	Solute carrier family 5 member 4	Sodium:solute symporter (SSF) (TC 2.A.21) family	SLC5A4	6527;	Homo sapiens (Human)	2.89234	5
	P04746	Pancreatic alpha-amylase (PA) (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase)	Glycosyl hydrolase 13 family	AMY2A	279;	Homo sapiens (Human)	2.52288	6
	P08588	Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)	G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamily	ADRB1	153;	Homo sapiens (Human)	2.38605	7
	Q14573	Inositol 1,4,5-trisphosphate receptor type 3 (IP3 receptor isoform 3) (IP3R ...	InsP3 receptor family	ITPR3	3710;	Homo sapiens (Human)	2.15173	8
	P08173	Muscarinic acetylcholine receptor M4	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 ...	CHRM4	1132;	Homo sapiens (Human)	2.13921	9
	P20309	Muscarinic acetylcholine receptor M3	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ...	CHRM3	1131;	Homo sapiens (Human)	2.05108	10
	Q92731	Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...	Nuclear hormone receptor family, NR3 subfamily	ESR2	2100;	Homo sapiens (Human)	1.99291	11
	P08172	Muscarinic acetylcholine receptor M2	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...	CHRM2	1129;	Homo sapiens (Human)	1.89346	12
	P0DMS8	Adenosine receptor A3	G-protein coupled receptor 1 family	ADORA3	140;	Homo sapiens (Human)	1.86443	13
	P43166	Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA7	766;	Homo sapiens (Human)	1.86139	14
	O60502	Protein O-GlcNAcase (OGA) (EC 3.2.1.169) (Beta-N-acetylglucosaminidase) (Beta-N-acetylhexosaminidase) (Beta-hexosaminidase) (Meningioma-expressed antigen ...	Glycosyl hydrolase 84 family	OGA	10724;	Homo sapiens (Human)	1.73241	15
	P14061	Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ...	Short-chain dehydrogenases/reductases (SDR) family	HSD17B1	3292;	Homo sapiens (Human)	1.72768	16
	P34972	Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)	G-protein coupled receptor 1 family	CNR2	1269;	Homo sapiens (Human)	1.6649	17
	Q8NER1	Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...	Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamily	TRPV1	7442;	Homo sapiens (Human)	1.64432	18
	P11229	Muscarinic acetylcholine receptor M1	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...	CHRM1	1128;	Homo sapiens (Human)	1.6301	19
	P19099	Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...	Cytochrome P450 family	CYP11B2	1585;	Homo sapiens (Human)	1.62369	20
	O43193	Motilin receptor (G-protein coupled receptor 38)	G-protein coupled receptor 1 family	MLNR	2862;	Homo sapiens (Human)	1.58808	21
	P12872	Promotilin [Cleaved into: Motilin; Motilin-associated peptide (MAP)]	Motilin family	MLN	4295;	Homo sapiens (Human)	1.51606	22
	P14416	D(2) dopamine receptor (Dopamine D2 receptor)	G-protein coupled receptor 1 family	DRD2	1813;	Homo sapiens (Human)	1.50527	23
	O43570	Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA12	771;	Homo sapiens (Human)	1.49586	24
	P41143	Delta-type opioid receptor (D-OR-1) (DOR-1)	G-protein coupled receptor 1 family	OPRD1	4985;	Homo sapiens (Human)	1.48294	25
	P55263	Adenosine kinase (AK) (EC 2.7.1.20) (Adenosine 5'-phosphotransferase)	Carbohydrate kinase PfkB family	ADK	132;	Homo sapiens (Human)	1.42232	26
	P08912	Muscarinic acetylcholine receptor M5	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM5 ...	CHRM5	1133;	Homo sapiens (Human)	1.37098	27
	P13726	Tissue factor (TF) (Coagulation factor III) (Thromboplastin) (CD antigen CD142)	Tissue factor family	F3	2152;	Homo sapiens (Human)	1.37058	28
	P22303	Acetylcholinesterase (AChE) (EC 3.1.1.7)	Type-B carboxylesterase/lipase family	ACHE	43;	Homo sapiens (Human)	1.31933	29
	Q9NUW8	Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)	Tyrosyl-DNA phosphodiesterase family	TDP1	55775;	Homo sapiens (Human)	1.30894	30
	P30542	Adenosine receptor A1	G-protein coupled receptor 1 family	ADORA1	134;	Homo sapiens (Human)	1.29978	31
	Q15391	P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)	G-protein coupled receptor 1 family	P2RY14	9934;	Homo sapiens (Human)	1.26178	32
	P07550	Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)	G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamily	ADRB2	154;	Homo sapiens (Human)	1.22684	33
	P00918	Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA2	760;	Homo sapiens (Human)	1.1807	34
	Q9Y5N1	Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)	G-protein coupled receptor 1 family	HRH3	11255;	Homo sapiens (Human)	1.17877	35
	P15538	Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...	Cytochrome P450 family	CYP11B1	1584;	Homo sapiens (Human)	1.17322	36
	Q8NET8	Transient receptor potential cation channel subfamily V member 3 (TrpV3) ...	Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV3 sub-subfamily	TRPV3	162514;	Homo sapiens (Human)	1.15397	37
	Q9HCG7	Non-lysosomal glucosylceramidase (NLGase) (EC 3.2.1.45) (Beta-glucocerebrosidase 2) (Beta-glucosidase 2) (Bile ...	Non-lysosomal glucosylceramidase family	GBA2	57704;	Homo sapiens (Human)	1.15289	38
	Q9BZP6	Acidic mammalian chitinase (AMCase) (EC 3.2.1.14) (Lung-specific protein TSA1902)	Glycosyl hydrolase 18 family, Chitinase class II subfamily	CHIA	27159;	Homo sapiens (Human)	1.14891	39
	P29274	Adenosine receptor A2a	G-protein coupled receptor 1 family	ADORA2A	135;	Homo sapiens (Human)	1.09117	40
	Q13887	Krueppel-like factor 5 (Basic transcription element-binding protein 2) (BTE-binding protein ...	Krueppel C2H2-type zinc-finger protein family	KLF5	688;	Homo sapiens (Human)	1.09026	41
	P05067	Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...	APP family	APP	351;	Homo sapiens (Human)	1.07033	42
	Q96GD4	Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...	Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamily	AURKB	9212;	Homo sapiens (Human)	1.05783	43
	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) ...	G-protein coupled receptor 1 family	GPR17	2840;	Homo sapiens (Human)	1.05033	44
	Q96LB1	Mas-related G-protein coupled receptor member X2	G-protein coupled receptor 1 family, Mas subfamily	MRGPRX2	117194;	Homo sapiens (Human)	1.04477	45
	Q16236	Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...	BZIP family, CNC subfamily	NFE2L2	4780;	Homo sapiens (Human)	1.01232	46
	P37268	Squalene synthase (SQS) (SS) (EC 2.5.1.21) (FPP:FPP farnesyltransferase) (Farnesyl-diphosphate farnesyltransferase)	Phytoene/squalene synthase family	FDFT1	2222;	Homo sapiens (Human)	1.01193	47
	P04035	3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)	HMG-CoA reductase family	HMGCR	3156;	Homo sapiens (Human)	1.00048	48
	P11413	Glucose-6-phosphate 1-dehydrogenase (G6PD) (EC 1.1.1.49)	Glucose-6-phosphate dehydrogenase family	G6PD	2539;	Homo sapiens (Human)	0.960825	49
	Q16706	Alpha-mannosidase 2 (EC 3.2.1.114) (Golgi alpha-mannosidase II) (AMan II) (Man ...	Glycosyl hydrolase 38 family	MAN2A1	4124;	Homo sapiens (Human)	0.944037	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
20300	2026-01-20 20:47:59	Target proteins	Weighted Substructure-Drug-Target Network-Based Inference (wSDTNBI)	Global drug-target interaction (DTI) network (version 2020)	Morgan fingerprint, similar to FCFP_4 Download	α = 0.4, β = 0.2, γ = -0.5, k = 2, Top 50	Download

Results

[1] Untitled

Job Information