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Metildigoxin

Metildigoxin

SCHEMBL2518178

CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)C(C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP1A1 P05023 16/20 0.89
▸ ATP1B1 P05026 16/20 0.89
▸ ATP1B2 P14415 16/20 0.89
▸ ATP1A2 P50993 16/20 0.89
▸ ATP1B3 P54709 16/20 0.89
▸ SMN1; SMN2 Q16637 2/20 0.89
▸ LMNA P02545 2/20 0.89
▸ TP53 P04637 2/20 0.89
▸ NPC1 O15118 1/20 0.89
▸ GLA P06280 1/20 0.89
▸ ATP1A3 P13637 1/20 0.89
▸ STAT3 P40763 1/20 0.89
▸ RECQL P46063 1/20 0.89
▸ RAB9A P51151 1/20 0.89
▸ RORC P51449 1/20 0.89
▸ FXYD2 P54710 1/20 0.89
▸ PAX8 Q06710 1/20 0.89
▸ ATP1A4 Q13733 1/20 0.89
▸ SLCO1B3 Q9NPD5 1/20 0.89
▸ SLCO1B1 Q9Y6L6 1/20 0.89

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
Metildigoxin SCHEMBL14769389 1.00 ATP1A1 (0.89) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Metildigoxin SCHEMBL43349 1.00 ATP1A1 (0.89) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Metildigoxin SCHEMBL12841143 1.00 ATP1A1 (0.89) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Metildigoxin SCHEMBL6598684 0.97 ATP1A1 (0.94) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Digoxin SCHEMBL8200838 0.94 ATP1A1 (1.00) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Digoxin SCHEMBL13354340 0.94 ATP1A1 (1.00) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Digoxin SCHEMBL16144399 0.94 ATP1A1 (1.00) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Digoxin SCHEMBL22904197 0.94 ATP1A1 (1.00) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Digoxin SCHEMBL15959376 0.94 ATP1A1 (1.00) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Digoxin SCHEMBL12841137 0.94 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4686757-A1 INHIBITORS OF EXPRESSION AND/OR FUNCTION e-therapeutics PLC (GB) 2026-02-04 — — EP disclosed
EP-3897657-A2 <SUP2/>? <SUB2/>?+? ?NA/K <NS1:SUP>+</NS1:SUP>?ATPASE INHIBITORS FOR USE IN THE PREVENTION OR TREATMENT OF METASTASIS Universität Basel (CH) 2021-10-27 — — EP disclosed
WO-2020127943-A2 NA+/K+ ATPASE INHIBITORS FOR USE IN THE PREVENTION OR TREATMENT OF METASTASIS UNIVERSITÄT BASEL (CH) 2020-06-25 — — WO disclosed
US-20110250297-A1 Treatment of Hyperproliferative Disorders Using Cardiac Glycosides EPICENTRX, INC. 2011-10-13 — — US disclosed
WO-2010036973-A1 TREATMENT OF HYPERPROLIFERATIVE DISORDERS USING CARDIAC GLYCOSIDES COMGENRX, INC. (US) 2010-04-01 — — WO disclosed