Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 13/20 | 0.54 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 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 | |
|---|---|---|---|---|
| SCHEMBL6769536 | 0.88 | OPRM1 (0.51) | OPRM1HSP90AB1ALDH1A1LMNAGAA | |
| SCHEMBL6162256 | 0.88 | OPRM1 (0.50) | OPRM1HSP90AB1ALDH1A1LMNANPSR1 | |
| SCHEMBL6772068 | 0.87 | ALDH1A1 (0.57) | OPRM1HSP90AB1ALDH1A1LMNAGAA | |
| SCHEMBL1220615 | 0.84 | HSP90AA1 (0.53) | OPRM1HSP90AB1ALDH1A1NPSR1HSP90AA1 | |
| SCHEMBL6770491 | 0.83 | OPRM1 (0.51) | OPRM1HSP90AB1ALDH1A1LMNAGAA | |
| SCHEMBL6767006 | 0.83 | OPRM1 (0.58) | OPRM1HSP90AB1HSP90AA1OPRD1OPRK1 | |
| SCHEMBL6770401 | 0.83 | OPRM1 (0.77) | OPRM1HSP90AB1ALDH1A1LMNANPSR1 | |
| SCHEMBL7537151 | 0.81 | OPRM1 (0.54) | OPRM1ALDH1A1LMNANPSR1SRC | |
| SCHEMBL7533974 | 0.81 | OPRM1 (0.47) | OPRM1HSP90AB1ALDH1A1LMNAGAA | |
| SCHEMBL6770500 | 0.80 | OPRM1 (0.61) | OPRM1HSP90AB1HSP90AA1OPRD1OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1177185-A1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000069846-A1 | 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 2000-11-23 | — | — | WO | disclosed |