Digoxin

Digoxin

SCHEMBL8200838

C[C@H]1O[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@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O.C[C@H]1O[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@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O

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 SCHEMBL22904197 1.00 ATP1A1 (1.00) ATP1A1ATP1B1ATP1B2ATP1A2ATP1B3
Digoxin SCHEMBL13199062 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108165611-A A kind of methods and applications of recombinase polymerase constant-temperature amplification combination ELISA test strip staphylococcus aureus 天津科技大学 2018-06-15 CN claimed
CN-108148894-A A kind of methods and applications of recombinase polymerase constant-temperature amplification combination ELISA test strip Listeria monocytogenes 中科智测(天津)科技有限公司 2018-06-12 CN claimed
WO-2018141804-A1 METHODS, ARRAYS AND USES THEREOF IMMUNOVIA AB (SE) 2018-08-09 WO disclosed
EP-3353552-A2 METHOD, ARRAY AND USE THEREOF Immunovia AB (SE) 2018-08-01 EP disclosed
CN-108165611-A A kind of methods and applications of recombinase polymerase constant-temperature amplification combination ELISA test strip staphylococcus aureus 天津科技大学 2018-06-15 CN disclosed
CN-108148894-A A kind of methods and applications of recombinase polymerase constant-temperature amplification combination ELISA test strip Listeria monocytogenes 中科智测(天津)科技有限公司 2018-06-12 CN disclosed
EP-3152578-A2 METHOD AND ARRAYS FOR USE IN DIAGNOSING EARLY BREAST CANCER Immunovia AB (SE) 2017-04-12 EP disclosed
WO-2017050939-A2 METHOD, ARRAY AND USE THEREOF IMMUNOVIA AB (SE) 2017-03-30 WO disclosed
WO-2015189591-A2 METHODS AND ARRAYS FOR USE IN THE SAME IMMUNOVIA AB (SE) 2015-12-17 WO disclosed
CN-103638036-B Application of cardenolide compound in preparation of drugs treating sepsis immunoparalysis NANJING UNIVERSITY OF TECHNOLOGY 2015-03-04 CN disclosed
CN-103638036-A Application of cardenolide compound in preparation of drugs treating sepsis immunoparalysis NANJING UNIVERSITY OF TECHNOLOGY 2014-03-19 CN disclosed
US-5741708-A AUTOMATED IMMUNOASSAY TESTING CHIRON DIAGNOSTICS CORPORATION (US) 1998-04-21 US disclosed
US-5679948-A Constant luminescence source module for an automated analyzer CHIRON DIAGNOSTICS CORPORATION (US) 1997-10-21 US disclosed
US-5653940-A MEASURES INTENSITY OF CHEMILUMINESCENT FLASH INITIATED AS INDICATION OF PRESENCE OR ABSENCE OF ANALYTE IN TEST FLUID BEING ASSAYED CHIRON DIAGNOSTICS CORPORATION (US) 1997-08-05 US disclosed
US-5637275-A Automated analyzer with reagent agitating device CHIRON DIAGNOSTICS CORPORATION (US) 1997-06-10 US disclosed
US-5582796-A BIOLOGICAL APPARATUS CIBA CORNING DIAGNOSTICS CORP. (US) 1996-12-10 US disclosed
WO-1992014138-A1 METHOD AND APPARATUS FOR MAGNETIC MICROPARTICULATE BASED LUMINESCENCE ASSAY INCLUDING PLURALITY OF MAGNETS IGEN, INC. (US) 1992-08-20 WO disclosed
US-4734378-A SULFOSALICYCLIC ACID AND ALCOHOL ABBOTT LABORATORIES (US) 1988-03-29 US disclosed
US-4255411-A DIGOXIN ASSAY DAMON CORPORATION (US) 1981-03-10 US disclosed
US-4071409-A POLYMERIC ISOCYANATE COUPLER CORNING GLASS WORKS (US) 1978-01-31 US disclosed