Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 19/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 11/20 | 0.47 |
| ▸ | HSP90B1 | P14625 | 4/20 | 0.41 |
| ▸ | TRAP1 | Q12931 | 3/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17065471 | 0.92 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1HSP90B1TRAP1PDK1 | |
| SCHEMBL22354461 | 0.91 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1HSP90B1TRAP1PDK1 | |
| SCHEMBL28343989 | 0.90 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1HSP90B1TRAP1PDK1 | |
| SCHEMBL30385274 | 0.90 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1HSP90B1TRAP1PDK1 | |
| SCHEMBL16569718 | 0.89 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1HSP90B1TRAP1PDK1 | |
| SCHEMBL22541228 | 0.88 | HRH3 (0.46) | HSP90AA1HSP90AB1HSP90B1TRAP1PDK1 | |
| SCHEMBL20879073 | 0.88 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1HSP90B1TRAP1PDK1 | |
| SCHEMBL30985941 | 0.88 | HRH3 (0.46) | HSP90AA1HSP90AB1HSP90B1TRAP1PDK1 | |
| SCHEMBL5002925 | 0.88 | PDK1 (0.52) | HSP90AA1HSP90AB1HSP90B1TRAP1PDK1 | |
| SCHEMBL15522473 | 0.88 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1HSP90B1TRAP1PDK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110559446-A | Targeted therapeutics | 马德里加尔制药公司 | 2019-12-13 | — | — | CN | disclosed |