Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 15/20 | 0.61 |
| ▸ | HSP90AA1 | P07900 | 14/20 | 0.61 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.48 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1221266 | 0.88 | HSP90AB1 (0.64) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL1220823 | 0.88 | HSP90AB1 (0.63) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL1219523 | 0.87 | HSP90AB1 (0.62) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL1220635 | 0.87 | HSP90AB1 (0.62) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL1220570 | 0.86 | HSP90AB1 (0.62) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL1220886 | 0.85 | HSP90AB1 (0.61) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL1220457 | 0.84 | HSP90AB1 (0.63) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL1219361 | 0.83 | HSP90AA1 (0.58) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL1220755 | 0.83 | HSP90AB1 (0.63) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL1220859 | 0.82 | HSP90AB1 (0.64) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 |
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-7358370-B2 | Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide | SERENEX, INC. (US) | 2008-04-15 | — | — | US | claimed |