Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 18/20 | 0.64 |
| ▸ | HSP90AB1 | P08238 | 16/20 | 0.64 |
| ▸ | TRAP1 | Q12931 | 5/20 | 0.62 |
| ▸ | HSP90B1 | P14625 | 4/20 | 0.62 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4373854 | 1.00 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1TRAP1HSP90B1OPRM1 | |
| SCHEMBL4372134 | 0.91 | HSP90AB1 (0.62) | HSP90AA1HSP90AB1TRAP1HSP90B1OPRM1 | |
| SCHEMBL4372180 | 0.91 | HSP90AB1 (0.62) | HSP90AA1HSP90AB1TRAP1HSP90B1OPRM1 | |
| SCHEMBL4379481 | 0.90 | HSP90AB1 (0.61) | HSP90AA1HSP90AB1TRAP1HSP90B1OPRM1 | |
| SCHEMBL4382753 | 0.89 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1TRAP1HSP90B1OPRM1 | |
| SCHEMBL4375402 | 0.89 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1TRAP1HSP90B1OPRM1 | |
| SCHEMBL4372843 | 0.86 | HSP90AA1 (0.70) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL4369070 | 0.86 | HSP90AA1 (0.70) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL4375441 | 0.86 | HSP90AA1 (0.70) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL3629714 | 0.85 | HSP90AA1 (0.70) | HSP90AA1HSP90AB1TRAP1HSP90B1OPRM1 |
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-2009114470-A2 | TETRAHYDROINDOLE AND TETRAHDYROINDAZOLE AS HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY | CURIS, INC. (US) | 2009-09-17 | — | — | WO | disclosed |