Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 15/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 14/20 | 0.44 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.39 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | PDE8B | O95263 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14567906 | 0.89 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1TRAP1HSP90B1ADORA3 | |
| SCHEMBL14567905 | 0.89 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1TRAP1ADORA3ADORA2A | |
| SCHEMBL3396130 | 0.84 | HSP90AB1 (0.47) | HSP90AA1HSP90AB1TRAP1HSP90B1ADORA3 | |
| SCHEMBL14567910 | 0.82 | HSP90AA1 (0.37) | HSP90AA1HSP90AB1TRAP1HSP90B1ADORA3 | |
| SCHEMBL14506524 | 0.80 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL14568043 | 0.79 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1TRAP1HSP90B1ADORA2A | |
| SCHEMBL14568030 | 0.79 | HSP90AB1 (0.67) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL3393056 | 0.78 | HSP90AB1 (0.69) | HSP90AA1HSP90AB1TRAP1HSP90B1ADORA3 | |
| SCHEMBL14568330 | 0.78 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL14506515 | 0.77 | HSP90AB1 (0.42) | HSP90AA1HSP90AB1TRAP1HSP90B1ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007035963-A2 | ANTI-TUMOR METHODS USING MULTI DRUG RESISTANCE INDEPENDENT SYNTHETIC HSP90 INHIBITORS | CONFORMA THERAPEUTICS CORPORATION (US) | 2007-03-29 | — | — | WO | disclosed |