Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 15/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 14/20 | 0.54 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.46 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4543165 | 0.82 | HSP90AB1 (0.66) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL4374100 | 0.81 | HSP90AB1 (0.64) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL4370529 | 0.81 | HSP90AB1 (0.64) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL4374665 | 0.80 | HSP90AB1 (0.62) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL4543161 | 0.79 | HSP90AB1 (0.53) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL15613351 | 0.79 | HSP90AB1 (0.67) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL4382753 | 0.76 | HSP90AA1 (0.65) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL4375402 | 0.76 | HSP90AA1 (0.65) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL18574113 | 0.75 | HSP90AB1 (0.68) | HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1 | |
| SCHEMBL8008118 | 0.75 | HSP90AB1 (0.70) | HSP90AB1HSP90AA1HSP90B1TRAP1 |
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 |