Digoxin

Digoxin

SCHEMBL428012

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nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ATP1A1ATP1A2ATP1A3ATP1A4ATP1B1ATP1B2ATP1B3FXYD2

The experimentally established mechanism targets of Digoxin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 known ✓ P05023 15/20 1.00
ATP1B1 known ✓ P05026 15/20 1.00
ATP1B2 known ✓ P14415 15/20 1.00
ATP1A2 known ✓ P50993 15/20 1.00
ATP1B3 known ✓ P54709 15/20 1.00
ATP1A3 known ✓ P13637 3/20 1.00
FXYD2 known ✓ P54710 3/20 1.00
ATP1A4 known ✓ Q13733 3/20 1.00
TP53 P04637 4/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
LMNA P02545 3/20 1.00
NPC1 O15118 2/20 1.00
STAT3 P40763 2/20 1.00
RAB9A P51151 2/20 1.00
GLA P06280 1/20 1.00
RECQL P46063 1/20 1.00
RORC P51449 1/20 1.00
PAX8 Q06710 1/20 1.00
SLCO1B3 Q9NPD5 1/20 1.00
SLCO1B1 Q9Y6L6 1/20 1.00

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
Digoxin SCHEMBL16341971 1.00 ATP1A1 (1.00) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Digoxin SCHEMBL15959376 1.00 ATP1A1 (1.00) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Digoxin SCHEMBL13496260 1.00 ATP1A1 (1.00) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Digoxin SCHEMBL20506 1.00 ATP1A1 (1.00) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Digoxin SCHEMBL13337586 1.00 ATP1A1 (1.00) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Digoxin SCHEMBL13354340 1.00 ATP1A1 (1.00) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Digoxin SCHEMBL12841137 1.00 ATP1A1 (1.00) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Digoxin SCHEMBL16144399 1.00 ATP1A1 (1.00) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Digoxin SCHEMBL8200838 1.00 ATP1A1 (1.00) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Digoxin SCHEMBL22904197 1.00 ATP1A1 (1.00) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3182979-B1 NOVEL COMPOSITIONS AND METHODS USEFUL FOR TREATING OR PREVENTING LIVER DISEASES OR DISORDERS, AND PROMOTING WEIGHT LOSS UNIV YALE (US) 2023-12-06 EP disclosed
US-10624917-B2 Compositions and methods useful for treating or preventing liver diseases or disorders, and promoting weight loss YALE UNIVERSITY (US) 2020-04-21 US disclosed
US-20170232027-A1 NOVEL COMPOSITIONS AND METHODS USEFUL FOR TREATING OR PREVENTING LIVER DISEASES OR DISORDERS, AND PROMOTING WEIGHT LOSS UNIV YALE (US) 2017-08-17 US disclosed
US-9585380-B2 SSAT mRNA translation repression and activation Temple University—Of the Commonwealth System of Higher Education (US) 2017-03-07 US disclosed
US-20160331771-A1 Treatment of Hyperproliferative Disorders Using Cardiac Glycosides COMGENRX, INC. 2016-11-17 US disclosed
EP-2414543-B1 GENETIC MARKERS FOR RISK MANAGEMENT OF ATRIAL FIBRILLATION AND STROKE DECODE GENETICS EHF (IS) 2016-10-12 EP disclosed
US-20140234827-A1 SSAT mRNA TRANSLATION REPRESSION AND ACTIVATION TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-08-21 US disclosed
US-8795963-B2 Genetic markers for risk management of atrial fibrillation and stroke DECODE GENETICS EHF. (IS) 2014-08-05 US disclosed
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 disclosed
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 disclosed
US-20120021989-A1 GENETIC MARKERS FOR RISK MANAGEMENT OF ATRIAL FIBRILLATION AND STROKE DECODE GENETICS EHF. (IS) 2012-01-26 US disclosed
US-20110250297-A1 Treatment of Hyperproliferative Disorders Using Cardiac Glycosides EPICENTRX, INC. 2011-10-13 US disclosed

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

For each of this compound's patents that has machine-readable text (2 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-20120077763-A1 METHODS FOR TREATING HEART FAILURE BY INHIBITING THE MITOCHONDRIAL SODIUM-CALCIUM EXCHANGER (mNCE) SLC8B1, ATP2A1, ATP2A2 ATP1A1 109/4885ATP1B1 166/4885ATP1B2 87/4885
US-20140234827-A1 SSAT mRNA TRANSLATION REPRESSION AND ACTIVATION RNMT, RNGTT, SRM ATP1A1 1196/4885ATP1B1 1166/4885ATP1B2 1560/4885

“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.