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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP1A1 known ✓ | P05023 | 10/20 | 0.89 |
| ▸ | ATP1B1 known ✓ | P05026 | 10/20 | 0.89 |
| ▸ | ATP1A3 known ✓ | P13637 | 10/20 | 0.89 |
| ▸ | ATP1B2 known ✓ | P14415 | 10/20 | 0.89 |
| ▸ | ATP1A2 known ✓ | P50993 | 10/20 | 0.89 |
| ▸ | ATP1B3 known ✓ | P54709 | 10/20 | 0.89 |
| ▸ | FXYD2 known ✓ | P54710 | 10/20 | 0.89 |
| ▸ | ATP1A4 known ✓ | Q13733 | 10/20 | 0.89 |
| ▸ | ATP12A | P54707 | 4/20 | 1.00 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.60 |
| ▸ | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Istaroxime SCHEMBL7285898 | 1.00 | ATP12A (1.00) | ATP12AATP1A1ATP1B1ATP1A3ATP1B2 | |
| Istaroxime SCHEMBL8452195 | 1.00 | ATP12A (1.00) | ATP12AATP1A1ATP1B1ATP1A3ATP1B2 | |
| Istaroxime SCHEMBL1427268 | 1.00 | ATP12A (1.00) | ATP12AATP1A1ATP1B1ATP1A3ATP1B2 | |
| Istaroxime SCHEMBL7298591 | 1.00 | ATP12A (1.00) | ATP12AATP1A1ATP1B1ATP1A3ATP1B2 | |
| Istaroxime SCHEMBL8450412 | 1.00 | ATP12A (1.00) | ATP12AATP1A1ATP1B1ATP1A3ATP1B2 | |
| Istaroxime SCHEMBL1427271 | 1.00 | ATP12A (1.00) | ATP12AATP1A1ATP1B1ATP1A3ATP1B2 | |
| Istaroxime SCHEMBL23760714 | 1.00 | ATP12A (1.00) | ATP12AATP1A1ATP1B1ATP1A3ATP1B2 | |
| Istaroxime SCHEMBL5053480 | 1.00 | ATP12A (1.00) | ATP12AATP1A1ATP1B1ATP1A3ATP1B2 | |
| Istaroxime SCHEMBL7285904 | 1.00 | ATP12A (1.00) | ATP12AATP1A1ATP1B1ATP1A3ATP1B2 | |
| Istaroxime SCHEMBL29375996 | 1.00 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |