Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 20/20 | 1.00 |
| ▸ | HSP90AB1 | P08238 | 11/20 | 1.00 |
| ▸ | TRAP1 | Q12931 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1351190 | 1.00 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL1351184 | 1.00 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL29352985 | 1.00 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL1985674 | 0.95 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL1985679 | 0.95 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL1986232 | 0.92 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL1988210 | 0.92 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL1985089 | 0.91 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL1985085 | 0.91 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL1987780 | 0.91 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1TRAP1 |
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-2252595-B1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2014-03-26 | — | — | EP | claimed |
| WO-2012104823-A2 | PYRIDOPYRIMIDINONE COMPOUNDS IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | NOVARTIS AG (CH) | 2012-08-09 | — | — | WO | disclosed |