Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 20/20 | 0.56 |
| ▸ | HSP90AB1 | P08238 | 17/20 | 0.56 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.47 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3089009 | 0.81 | HSP90AA1 (0.84) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL4059227 | 0.74 | HSP90AA1 (0.60) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL12651963 | 0.73 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL1060173 | 0.72 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL12652203 | 0.72 | HSP90AA1 (0.67) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL13616485 | 0.71 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL12652202 | 0.71 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL3085858 | 0.71 | HSP90AA1 (0.79) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL3098309 | 0.70 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL3393373 | 0.69 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1TRAP1HSP90B1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7799781-B2 | 5,6,7,8-tetrahydropteridine derivatives as HSP90 inhibitors | ASTRAZENECA AB (SE) | 2010-09-21 | — | — | US | claimed |