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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
n1c(nc(nc1Cl)NC(C)C)NCC

Prepared SMILES:
CCNc1nc(NC(C)C)nc(n1)Cl

P28329Choline O-acetyltransferase (CHOACTase) (ChAT) (Choline acetylase) (EC 2.3.1.6)Carnitine/choline acetyltransferase familyP283291103Homo sapiens (Human)0.001560421
P30542Adenosine receptor A1G-protein coupled receptor 1 familyP30542134Homo sapiens (Human)0.001107172
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyP29274135Homo sapiens (Human)0.001096413
O94925Glutaminase kidney isoform, mitochondrial (GLS) (EC 3.5.1.2) (K-glutaminase) (L-glutamine amidohydrolase) ...Glutaminase familyO949252744Homo sapiens (Human)0.00102364
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyP514496097Homo sapiens (Human)0.001010475
Q03181Peroxisome proliferator-activated receptor delta (PPAR-delta) (NUCI) (Nuclear hormone receptor 1) ...Nuclear hormone receptor family, NR1 subfamilyQ031815467Homo sapiens (Human)0.001008266
P29275Adenosine receptor A2bG-protein coupled receptor 1 familyP29275136Homo sapiens (Human)0.0008048477
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyP0DMS8140Homo sapiens (Human)0.0007452758
P22413Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (E-NPP 1) (Membrane component chromosome ...Nucleotide pyrophosphatase/phosphodiesterase familyP224135167Homo sapiens (Human)0.0007107739
P12314High affinity immunoglobulin gamma Fc receptor I (IgG Fc receptor ...Immunoglobulin superfamily, FCGR1 familyP123142209Homo sapiens (Human)0.00061788710
P48735Isocitrate dehydrogenase [NADP], mitochondrial (IDH) (EC 1.1.1.42) (ICD-M) (IDP) (NADP(+)-specific ...Isocitrate and isopropylmalate dehydrogenases familyP487353418Homo sapiens (Human)0.0005613911
Q99571P2X purinoceptor 4 (P2X4) (ATP receptor) (Purinergic receptor)P2X receptor familyQ995715025Homo sapiens (Human)0.00055329912
Q9UBL9P2X purinoceptor 2 (P2X2) (ATP receptor) (Purinergic receptor)P2X receptor familyQ9UBL922953Homo sapiens (Human)0.00054510913
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyP164737253Homo sapiens (Human)0.00052061514
Q96RI1Bile acid receptor (Farnesoid X-activated receptor) (Farnesol receptor HRR-1) (Nuclear ...Nuclear hormone receptor family, NR1 subfamilyQ96RI19971Homo sapiens (Human)0.00051501815
P24941Cyclin-dependent kinase 2 (EC 2.7.11.22) (Cell division protein kinase 2) ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamilyP249411017Homo sapiens (Human)0.0005030116
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyQ997052847Homo sapiens (Human)0.00050169717
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyP033722099Homo sapiens (Human)0.00048189418
O60760Hematopoietic prostaglandin D synthase (H-PGDS) (EC 5.3.99.2) (GST class-sigma) (Glutathione ...GST superfamily, Sigma familyO6076027306Homo sapiens (Human)0.00047106319
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.00043687320
P47900P2Y purinoceptor 1 (P2Y1) (ADP receptor) (Purinergic receptor)G-protein coupled receptor 1 familyP479005028Homo sapiens (Human)0.00043623121
P14902Indoleamine 2,3-dioxygenase 1 (IDO-1) (EC 1.13.11.52) (Indoleamine-pyrrole 2,3-dioxygenase)Indoleamine 2,3-dioxygenase familyP149023620Homo sapiens (Human)0.00041954222
P68400Casein kinase II subunit alpha (CK II alpha) (EC 2.7.11.1)Protein kinase superfamily, Ser/Thr protein kinase family, CK2 subfamilyP684001457Homo sapiens (Human)0.00040533923
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.00038000224
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilyP316456532Homo sapiens (Human)0.00036941525
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilyQ019596531Homo sapiens (Human)0.00036894726
P41231P2Y purinoceptor 2 (P2Y2) (ATP receptor) (P2U purinoceptor 1) (P2U1) ...G-protein coupled receptor 1 familyP412315029Homo sapiens (Human)0.0003685927
P43220Glucagon-like peptide 1 receptor (GLP-1 receptor) (GLP-1-R) (GLP-1R)G-protein coupled receptor 2 familyP432202740Homo sapiens (Human)0.00036684328
P56373P2X purinoceptor 3 (P2X3) (ATP receptor) (Purinergic receptor)P2X receptor familyP563735024Homo sapiens (Human)0.00036583829
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilyP239756530Homo sapiens (Human)0.00035859530
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...Q165391432Homo sapiens (Human)0.00035118831
Q9H244P2Y purinoceptor 12 (P2Y12) (ADP-glucose receptor) (ADPG-R) (P2T(AC)) (P2Y(AC)) (P2Y(cyc)) ...G-protein coupled receptor 1 familyQ9H24464805Homo sapiens (Human)0.0003195732
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyP082383326Homo sapiens (Human)0.00031690433
P06493Cyclin-dependent kinase 1 (CDK1) (EC 2.7.11.22) (EC 2.7.11.23) (Cell division ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamilyP06493983Homo sapiens (Human)0.00031651234
P51582P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR)G-protein coupled receptor 1 familyP515825030Homo sapiens (Human)0.00031203135
Q15761Neuropeptide Y receptor type 5 (NPY5-R) (NPY-Y5 receptor) (NPYY5-R) (Y5 ...G-protein coupled receptor 1 familyQ157614889Homo sapiens (Human)0.00030891336
Q13148TAR DNA-binding protein 43 (TDP-43)Q1314823435Homo sapiens (Human)0.00030838837
P00374Dihydrofolate reductase (EC 1.5.1.3)Dihydrofolate reductase familyP003741719Homo sapiens (Human)0.00030190938
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyP415942915Homo sapiens (Human)0.00029485239
P51679C-C chemokine receptor type 4 (C-C CKR-4) (CC-CKR-4) (CCR-4) (CCR4) ...G-protein coupled receptor 1 familyP516791233Homo sapiens (Human)0.00028505540
Q15077P2Y purinoceptor 6 (P2Y6)G-protein coupled receptor 1 familyQ150775031Homo sapiens (Human)0.00027257841
Q8TCW9Prokineticin receptor 1 (PK-R1) (G-protein coupled receptor 73) (G-protein coupled ...G-protein coupled receptor 1 familyQ8TCW910887Homo sapiens (Human)0.00026901442
P63000Ras-related C3 botulinum toxin substrate 1 (EC 3.6.5.2) (Cell migration-inducing ...Small GTPase superfamily, Rho familyP630005879Homo sapiens (Human)0.00026659543
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00025275144
P35968Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyP359683791Homo sapiens (Human)0.00025247945
Q12809Potassium voltage-gated channel subfamily H member 2 (Eag homolog) (Ether-a-go-go-related ...Potassium channel family, H (Eag) (TC 1.A.1.20) subfamily, Kv11.1/KCNH2 sub-subfamilyQ128093757Homo sapiens (Human)0.00024975646
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyP415953357Homo sapiens (Human)0.00024280947
Q5S007Leucine-rich repeat serine/threonine-protein kinase 2 (EC 2.7.11.1) (EC 3.6.5.-) (Dardarin)Protein kinase superfamily, TKL Ser/Thr protein kinase familyQ5S007120892Homo sapiens (Human)0.00023813948
O75874Isocitrate dehydrogenase [NADP] cytoplasmic (IDH) (IDH1) (EC 1.1.1.42) (Cytosolic NADP-isocitrate ...Isocitrate and isopropylmalate dehydrogenases familyO758743417Homo sapiens (Human)0.00023318649
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyQ132552911Homo sapiens (Human)0.0002277750

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
191552025-11-17
16:04:59		Target proteinsBalanced Substructure-Drug-Target Network-Based Inference (bSDTNBI)Global drug-target interaction (DTI) network for the study of AA13 (version 2022)Morgan fingerprint, similar to FCFP_4 Downloadα = 0.3, β = 0.1, γ = -0.5, k = 2, Top 50Download

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