Job ID(s):

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CompoundPathway IDDescriptionScoreRank

[1] Untitled

Original SMILES:
CCCCCCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CC1=CNC=N1)C(N)=O

Prepared SMILES:
NCCCC(C(=O)NC(C(=O)N)Cc1nc[nH]c1)NC(=O)CCCCCCCCCCCCC

hsa04610Complement and coagulation cascades0.0006061091
hsa04510Focal adhesion0.0005272222
hsa03320PPAR signaling pathway0.0004763813
hsa00100Steroid biosynthesis0.0004565444
hsa04915Estrogen signaling pathway0.0004450395
hsa04974Protein digestion and absorption0.000443016
hsa04151PI3K-Akt signaling pathway0.0004420417
hsa04978Mineral absorption0.0004373068
hsa04640Hematopoietic cell lineage0.000420729
hsa04612Antigen processing and presentation0.0003811910
hsa04216Ferroptosis0.00034659311
hsa04115p53 signaling pathway0.00031924412
hsa04657IL-17 signaling pathway0.00030532213
hsa04924Renin secretion0.0003009614
hsa04010MAPK signaling pathway0.00028458215
hsa04062Chemokine signaling pathway0.00027273516
hsa04964Proximal tubule bicarbonate reclamation0.0002597617
hsa04066HIF-1 signaling pathway0.00025607718
hsa04670Leukocyte transendothelial migration0.00025597819
hsa04015Rap1 signaling pathway0.00025553220
hsa04520Adherens junction0.00024559221
hsa04218Cellular senescence0.00024551422
hsa04068FoxO signaling pathway0.00024219723
hsa04668TNF signaling pathway0.00024083524
hsa04923Regulation of lipolysis in adipocytes0.00023523325
hsa04961Endocrine and other factor-regulated calcium reabsorption0.00023459726
hsa04918Thyroid hormone synthesis0.00023341127
hsa04972Pancreatic secretion0.00023332928
hsa00380Tryptophan metabolism0.00023290929
hsa04960Aldosterone-regulated sodium reabsorption0.00023239330
hsa00480Glutathione metabolism0.00023148731
hsa04672Intestinal immune network for IgA production0.00022963932
hsa00910Nitrogen metabolism0.00022659633
hsa00010Glycolysis / Gluconeogenesis0.0002237234
hsa04979Cholesterol metabolism0.00022113635
hsa00980Metabolism of xenobiotics by cytochrome P4500.00021836836
hsa04210Apoptosis0.00021752637
hsa04913Ovarian steroidogenesis0.00021726838
hsa04970Salivary secretion0.00021524539
hsa04350TGF-beta signaling pathway0.00021295840
hsa00340Histidine metabolism0.00021246241
hsa04971Gastric acid secretion0.0002092442
hsa00250Alanine, aspartate and glutamate metabolism0.00020393243
hsa04110Cell cycle0.0002025144
hsa04926Relaxin signaling pathway0.00020227445
hsa04310Wnt signaling pathway0.00019937346
hsa04614Renin-angiotensin system0.00019104347
hsa00051Fructose and mannose metabolism0.00018854548
hsa04540Gap junction0.00018726649
hsa00982Drug metabolism - cytochrome P4500.00018244650

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)
16692021-07-23
18:38:02
PathwaysDPNetInferDrug-pathway association network for pan-cancer (version 2020)MACCSα = 0.1, β = 0.1, γ = -0.9, k = 2, Top 50

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