Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 17/20 | 0.60 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.59 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16883487 | 0.89 | OPRM1 (0.62) | OPRM1HSP90AB1OPRK1OPRD1 | |
| SCHEMBL3632840 | 0.87 | OPRM1 (0.60) | OPRM1HSP90AB1HSP90AA1OPRK1OPRD1 | |
| SCHEMBL27649673 | 0.87 | OPRM1 (0.66) | OPRM1HSP90AB1OPRK1OPRD1 | |
| SCHEMBL1219080 | 0.87 | OPRM1 (0.66) | OPRM1HSP90AB1HSP90AA1OPRK1OPRD1 | |
| SCHEMBL12191669 | 0.87 | OPRM1 (0.60) | OPRM1HSP90AB1HSP90AA1OPRK1OPRD1 | |
| SCHEMBL2775193 | 0.85 | HSP90AB1 (0.66) | OPRM1HSP90AB1HSP90AA1OPRK1OPRD1 | |
| SCHEMBL21558179 | 0.82 | OPRM1 (0.65) | OPRM1HSP90AB1HSP90AA1OPRK1OPRD1 | |
| SCHEMBL28761859 | 0.82 | HSP90AB1 (0.55) | OPRM1HSP90AB1HSP90AA1OPRK1OPRD1 | |
| SCHEMBL3627830 | 0.81 | OPRM1 (0.58) | OPRM1HSP90AB1OPRK1OPRD1 | |
| SCHEMBL4369836 | 0.81 | HSP90AB1 (0.56) | OPRM1HSP90AB1HSP90AA1OPRK1OPRD1 |
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 2 patents. 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 |
| WO-2009114470-A2 | TETRAHYDROINDOLE AND TETRAHDYROINDAZOLE AS HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY | CURIS, INC. (US) | 2009-09-17 | — | — | WO | disclosed |