Job ID(s):

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CompoundPathway IDDescriptionScoreRank

[1] Untitled

Original SMILES:
C([C@H](O)C)C1=CN([C@H](C(=O)OC)CC2=CC=CC=C2)N=N1

Prepared SMILES:
COC(=O)[C@@H](n1nnc(c1)C[C@H](O)C)Cc1ccccc1

hsa04610Complement and coagulation cascades0.0005941171
hsa04510Focal adhesion0.000519192
hsa03320PPAR signaling pathway0.0004671633
hsa04915Estrogen signaling pathway0.0004398184
hsa00100Steroid biosynthesis0.0004327625
hsa04151PI3K-Akt signaling pathway0.0004308346
hsa04974Protein digestion and absorption0.0004269037
hsa04978Mineral absorption0.0004190398
hsa04640Hematopoietic cell lineage0.0004137189
hsa04612Antigen processing and presentation0.00036316210
hsa04216Ferroptosis0.00034621911
hsa04115p53 signaling pathway0.00031195512
hsa04657IL-17 signaling pathway0.00030271613
hsa04924Renin secretion0.00029818514
hsa04010MAPK signaling pathway0.00028267915
hsa04062Chemokine signaling pathway0.00026339316
hsa04015Rap1 signaling pathway0.00025565417
hsa04670Leukocyte transendothelial migration0.00024950418
hsa04066HIF-1 signaling pathway0.00024843319
hsa04964Proximal tubule bicarbonate reclamation0.00024579720
hsa04218Cellular senescence0.00024430521
hsa00980Metabolism of xenobiotics by cytochrome P4500.00024193422
hsa04961Endocrine and other factor-regulated calcium reabsorption0.00024178723
hsa04668TNF signaling pathway0.00024130224
hsa04923Regulation of lipolysis in adipocytes0.00024086925
hsa04068FoxO signaling pathway0.00023971526
hsa00480Glutathione metabolism0.00023564427
hsa04918Thyroid hormone synthesis0.00023493828
hsa00380Tryptophan metabolism0.00023379829
hsa04913Ovarian steroidogenesis0.00022883230
hsa04960Aldosterone-regulated sodium reabsorption0.00022843831
hsa04520Adherens junction0.00022577432
hsa04972Pancreatic secretion0.00022514533
hsa00010Glycolysis / Gluconeogenesis0.00022352834
hsa00910Nitrogen metabolism0.00022058435
hsa04979Cholesterol metabolism0.00021787736
hsa04210Apoptosis0.00021556937
hsa00340Histidine metabolism0.0002102538
hsa04970Salivary secretion0.00020825839
hsa04110Cell cycle0.00020338640
hsa04350TGF-beta signaling pathway0.00020259241
hsa00900Terpenoid backbone biosynthesis0.0002019342
hsa04926Relaxin signaling pathway0.00019988843
hsa04971Gastric acid secretion0.00019932344
hsa04310Wnt signaling pathway0.00019904345
hsa04672Intestinal immune network for IgA production0.00019380546
hsa00051Fructose and mannose metabolism0.0001924347
hsa04540Gap junction0.00019117748
hsa00350Tyrosine metabolism0.00018938749
hsa00982Drug metabolism - cytochrome P4500.0001877550

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
247652026-08-27
18:13:01
PathwaysDPNetInferDrug-pathway association network for pan-cancer (version 2020)MACCS Downloadα = 0.1, β = 0.1, γ = -0.9, k = 2, Top 50Download

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