Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 18/20 | 0.57 |
| ▸ | TRAP1 | Q12931 | 4/20 | 0.57 |
| ▸ | HSP90AB1 | P08238 | 12/20 | 0.51 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14567876 | 0.89 | HSP90AA1 (0.60) | HSP90AA1TRAP1HSP90AB1HSP90B1ADORA2A | |
| SCHEMBL13539607 | 0.88 | HSP90AA1 (0.59) | HSP90AA1TRAP1HSP90AB1HSP90B1ADORA2A | |
| SCHEMBL13539707 | 0.86 | HSP90AA1 (0.72) | HSP90AA1TRAP1HSP90AB1HSP90B1 | |
| SCHEMBL13539608 | 0.86 | HSP90AA1 (0.63) | HSP90AA1TRAP1HSP90AB1HSP90B1 | |
| SCHEMBL14568041 | 0.85 | HSP90AA1 (0.78) | HSP90AA1TRAP1HSP90AB1HSP90B1 | |
| SCHEMBL13539441 | 0.81 | HSP90AA1 (0.59) | HSP90AA1TRAP1HSP90AB1HSP90B1 | |
| SCHEMBL14506496 | 0.78 | HSP90AA1 (0.41) | HSP90AA1TRAP1HSP90AB1HSP90B1ADORA2A | |
| SCHEMBL3393890 | 0.77 | HSP90AA1 (0.72) | HSP90AA1TRAP1HSP90AB1HSP90B1 | |
| SCHEMBL14438227 | 0.77 | HSP90AA1 (0.76) | HSP90AA1TRAP1HSP90AB1HSP90B1 | |
| SCHEMBL14568050 | 0.75 | HSP90AA1 (0.58) | HSP90AA1TRAP1HSP90AB1HSP90B1ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2145888-A1 | Deazapurine derivatives as HSP90-Inhibitors | Conforma Therapeutics Corporation (US) | 2010-01-20 | — | — | EP | disclosed |