Istaroxime

Istaroxime

SCHEMBL3347161

C[C@]12CC/C(=N/OCCN)CC1C(=O)C[C@@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@@H]12.Cl

nearest known ligand 0.98

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Known targets — ChEMBL curated mechanism

ATP1A1ATP1A2ATP1A3ATP1A4ATP1B1ATP1B2ATP1B3ATP2A2FXYD2

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

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATP1A1 known ✓ P05023 10/20 0.87
ATP1B1 known ✓ P05026 10/20 0.87
ATP1A3 known ✓ P13637 10/20 0.87
ATP1B2 known ✓ P14415 10/20 0.87
ATP1A2 known ✓ P50993 10/20 0.87
ATP1B3 known ✓ P54709 10/20 0.87
FXYD2 known ✓ P54710 10/20 0.87
ATP1A4 known ✓ Q13733 10/20 0.87
ATP12A P54707 4/20 0.98
CYP19A1 P11511 4/20 0.59
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
OR51E2 Q9H255 1/20 0.42

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
Istaroxime SCHEMBL1115669 1.00 ATP12A (0.98) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
Istaroxime SCHEMBL1115671 1.00 ATP12A (0.98) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
Istaroxime SCHEMBL1115673 1.00 ATP12A (0.98) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
Istaroxime SCHEMBL3347159 1.00 ATP12A (0.98) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
Istaroxime SCHEMBL23760714 0.99 ATP12A (1.00) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
Istaroxime SCHEMBL7298591 0.99 ATP12A (1.00) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
Istaroxime SCHEMBL5053480 0.99 ATP12A (1.00) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
Istaroxime SCHEMBL22116205 0.99 ATP12A (1.00) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
Istaroxime SCHEMBL8450412 0.99 ATP12A (1.00) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
Istaroxime SCHEMBL1427271 0.99 ATP12A (1.00) ATP12AATP1A1ATP1B1ATP1A3ATP1B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087374-A1 Methods for Treatment and Diagnosis of Pulmonary Diseases Based on the Expression of SERCA2 Protein NATIONAL JEWISH HEALTH 2010-04-08 US claimed
WO-2010040130-A1 METHODS FOR TREATMENT AND DIAGNOSIS OF PULMONARY DISEASES BASED ON THE EXPRESSION OF SERCA2 PROTEIN NATIONAL JEWISH HEALTH (US) 2010-04-08 WO claimed
US-20100087374-A1 Methods for Treatment and Diagnosis of Pulmonary Diseases Based on the Expression of SERCA2 Protein NATIONAL JEWISH HEALTH 2010-04-08 US disclosed
WO-2010040130-A1 METHODS FOR TREATMENT AND DIAGNOSIS OF PULMONARY DISEASES BASED ON THE EXPRESSION OF SERCA2 PROTEIN NATIONAL JEWISH HEALTH (US) 2010-04-08 WO disclosed