Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 19/20 | 0.58 |
| ▸ | TRAP1 | Q12931 | 3/20 | 0.51 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.50 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL312076 | 0.88 | HSP90AA1 (0.75) | HSP90AA1TRAP1HSP90B1HSP90AB1 | |
| SCHEMBL29593227 | 0.88 | HSP90AA1 (0.75) | HSP90AA1TRAP1HSP90B1HSP90AB1 | |
| SCHEMBL311840 | 0.80 | HSP90AA1 (0.52) | HSP90AA1TRAP1HSP90B1HSP90AB1 | |
| SCHEMBL3799848 | 0.78 | HSP90AA1 (0.61) | HSP90AA1TRAP1HSP90B1HSP90AB1 | |
| SCHEMBL13539716 | 0.78 | HSP90AA1 (0.79) | HSP90AA1TRAP1HSP90B1HSP90AB1 | |
| SCHEMBL3794134 | 0.77 | HSP90AA1 (0.60) | HSP90AA1TRAP1HSP90B1HSP90AB1 | |
| SCHEMBL12614326 | 0.75 | HSP90AA1 (0.75) | HSP90AA1TRAP1HSP90B1HSP90AB1 | |
| SCHEMBL13539617 | 0.75 | HSP90AA1 (0.79) | HSP90AA1TRAP1HSP90B1HSP90AB1 | |
| SCHEMBL16582137 | 0.75 | HSP90AA1 (0.58) | HSP90AA1TRAP1HSP90B1HSP90AB1 | |
| SCHEMBL13539442 | 0.74 | HSP90AA1 (0.74) | HSP90AA1TRAP1HSP90B1HSP90AB1 |
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-1869027-A2 | ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS | Conforma Therapeutics Corporation (US) | 2007-12-26 | — | — | EP | disclosed |
| WO-2006105372-A2 | ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS | CONFORMA THERAPEUTICS CORPORATION (US) | 2006-10-05 | — | — | WO | disclosed |