Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 17/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 17/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.30 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL421461 | 0.84 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL421199 | 0.78 | HSP90AA1 (0.35) | HSP90AA1HSP90AB1 | |
| SCHEMBL419020 | 0.78 | HSP90AA1 (0.38) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL4088362 | 0.75 | MAP3K11 (0.37) | HSP90AA1HSP90AB1 | |
| SCHEMBL419166 | 0.73 | HSP90AA1 (0.53) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL421098 | 0.73 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL3989106 | 0.72 | HSP90AA1 (0.55) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL419851 | 0.70 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL3301787 | 0.69 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL3301790 | 0.69 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1HSP90B1TRAP1 |
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-2054059-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | Synta Pharmaceuticals Corporation (US) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008021364-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | SYNTA PHARMACEUTICALS CORP. (US) | 2008-02-21 | — | — | WO | disclosed |