Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 12/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL6767149 | 0.86 | OPRM1 (0.54) | OPRM1HSP90AB1SRCHSP90AA1 | |
| SCHEMBL6772954 | 0.86 | OPRM1 (0.78) | OPRM1TP53HSP90AB1 | |
| SCHEMBL6168169 | 0.85 | OPRM1 (0.53) | OPRM1TP53SRC | |
| SCHEMBL6769486 | 0.84 | OPRM1 (0.55) | OPRM1TP53HSP90AB1CA1CA2 | |
| SCHEMBL6771516 | 0.82 | OPRM1 (0.58) | OPRM1TP53HSP90AB1CA1CA2 | |
| SCHEMBL6767112 | 0.82 | OPRM1 (0.58) | OPRM1TP53HSP90AB1CA1CA2 | |
| SCHEMBL6771294 | 0.82 | SRC (0.49) | OPRM1CA1SRC | |
| SCHEMBL6770581 | 0.81 | ALDH1A1 (0.62) | OPRM1TP53HSP90AB1CA1CA2 | |
| SCHEMBL6775862 | 0.80 | ABCG2 (0.39) | SRC | |
| SCHEMBL7537240 | 0.79 | OPRM1 (0.58) | OPRM1TP53CA1CA2CA4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6716856-B1 | CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY | PHARMACIA & TUBJOHN SPA (IT) | 2004-04-06 | — | — | US | disclosed |
| 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 |