Digitoxigenin Gentiobioside

Digitoxigenin Gentiobioside

SCHEMBL702464

CC12CCC(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 12/20 0.92
ATP1B1 P05026 12/20 0.92
ATP1A3 P13637 12/20 0.92
ATP1B2 P14415 12/20 0.92
ATP1A2 P50993 12/20 0.92
ATP1B3 P54709 12/20 0.92
FXYD2 P54710 12/20 0.92
ATP1A4 Q13733 12/20 0.92
PAX8 Q06710 1/20 0.69
TP53 P04637 3/20 0.69
LMNA P02545 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
HBB P68871 1/20 0.69
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
MAPT P10636 2/20 0.64
USP2 O75604 1/20 0.62
ABCB11 O95342 1/20 0.62
STAT3 P40763 1/20 0.62
SLCO4C1 Q6ZQN7 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Digitoxigenin Gentiobioside SCHEMBL1652279 1.00 ATP1A1 (0.92) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Uzarin SCHEMBL702463 1.00 ATP1A1 (0.92) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Desglucouzarin SCHEMBL30615298 0.96 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Thevetin B SCHEMBL869661 0.93 ATP1A1 (0.80) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Thevetin B SCHEMBL29463277 0.93 ATP1A1 (0.80) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Thevetin B SCHEMBL29389027 0.93 ATP1A1 (0.80) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Thevetin B SCHEMBL12556692 0.93 ATP1A1 (0.80) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL29413165 0.93 ATP1A1 (0.79) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL31655532 0.91 ATP1A1 (0.91) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL31135096 0.91 ATP1A1 (0.91) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 234 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791079-B2 Methods for treating heart failure by inhibiting the mitochondrial sodium-calcium exchanger (mNCE) THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-29 US claimed
US-20120077763-A1 METHODS FOR TREATING HEART FAILURE BY INHIBITING THE MITOCHONDRIAL SODIUM-CALCIUM EXCHANGER (mNCE) THE JOHNS HOPKINS UNIVERSITY (US) 2012-03-29 US claimed
WO-2010104998-A2 METHODS FOR TREATING HEART FAILURE BY INHIBITING THE MITOCHONDRIAL SODIUM-CALCIUM EXCHANGER (MNCE) JOHNS HOPKINS UNIVERSITY (US) 2010-09-16 WO claimed
EP-1539099-A4 REVERSED LIQUID CRYSTALLINE PHASES WITH NON-PARAFFIN HYDROPHOBES LYOTROPIC THERAPEUTICS LLC (US) 2009-03-18 EP claimed
US-20060205679-A1 Topical and oral formulations of cardiac glycosides for treating skin diseases AZAYA THERAPEUTICS, INC. 2006-09-14 US claimed
US-6986901-B2 Gastrointestinal compositions WARNER-LAMBERT COMPANY LLC (US) 2006-01-17 US claimed
EP-1549302-A1 GASTROINTESTINAL COMPOSITIONS COMPRISING GABA DERIVATIVES Warner-Lambert Company LLC (US) 2005-07-06 EP claimed
US-20050136127-A1 Trimebutine and/or fedotozine combined with laxatives, antidiarrheals, antibiotics, antiulceratives, gastric secretion inhibitors, peristalitc stimulants, serotonin (5HT3) receptor antagonists, serotonin (5HT4) receptor agonists and/or selective serotonin reuptake inhibitors MCNEIL-PPC, INC 2005-06-23 US claimed
EP-1539099-A2 REVERSED LIQUID CRYSTALLINE PHASES WITH NON-PARAFFIN HYDROPHOBES Lyotropic Therapeutics, LLC (US) 2005-06-15 EP claimed
EP-1531801-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OR MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-25 EP claimed
WO-2004006902-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OR MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO claimed
WO-2004006901-A1 GASTROINTESTINAL COMPOSITIONS COMPRISING GABA DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO claimed
US-20040013741-A1 Gastrointestinal compositions JOHNSON & JOHNSON CONSUMER INC. 2004-01-22 US claimed
US-20040010035-A1 Gastrointestinal compositions MCNEIL-PPC, INC 2004-01-15 US claimed
US-20040010034-A1 Gastrointestinal compositions WARNER-LAMBERT COMPANY 2004-01-15 US claimed
US-20040009234-A1 Gastrointestinal compositions WARNER-LAMBERT COMPANY 2004-01-15 US claimed
WO-2003106382-A2 REVERSED LIQUID CRYSTALLINE PHASES WITH NON-PARAFFIN HYDROPHOBES LYOTROPIC THERAPEUTICS, INC. (US) 2003-12-24 WO claimed
EP-1336602-A1 Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases Scaramuzzino, Giovanni (IT) 2003-08-20 EP claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 EP claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060205679-A1 Topical and oral formulations of cardiac glycosides for treating skin diseases DSG1, PDIA5, NISCH ATP1A1 2112/4885ATP1B1 1353/4885ATP1A3 1132/4885
US-20040010034-A1 Gastrointestinal compositions FABP2, SLC10A2, FABP6 ATP1A1 678/4885ATP1B1 1312/4885ATP1A3 474/4885
US-20040013741-A1 Gastrointestinal compositions FABP2, SLC10A2, FABP6 ATP1A1 678/4885ATP1B1 1312/4885ATP1A3 474/4885
US-20040009234-A1 Gastrointestinal compositions FABP2, SLC10A2, FABP6 ATP1A1 678/4885ATP1B1 1312/4885ATP1A3 474/4885
US-20040010035-A1 Gastrointestinal compositions FABP2, SLC10A2, FABP6 ATP1A1 678/4885ATP1B1 1312/4885ATP1A3 474/4885
US-20120077763-A1 METHODS FOR TREATING HEART FAILURE BY INHIBITING THE MITOCHONDRIAL SODIUM-CALCIUM EXCHANGER (mNCE) SLC8B1, ATP2A1, ATP2A2 ATP1A1 109/4885ATP1B1 166/4885ATP1A3 95/4885
US-20050136127-A1 Trimebutine and/or fedotozine combined with laxatives, antidiarrheals, antibiotics, antiulceratives, gastric secretion inhibitors, peristalitc stimulants, serotonin (5HT3) receptor antagonists, serotonin (5HT4) receptor agonists and/or selective serotonin reuptake inhibitors HTR4, HTR6, SLC6A4 ATP1A1 817/4885ATP1B1 721/4885ATP1A3 431/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.