Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ALPL | P05186 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6772480 | 0.87 | ALDH1A1 (0.67) | ALDH1A1LMNAOPRM1NPSR1GAA | |
| SCHEMBL6769486 | 0.86 | OPRM1 (0.55) | ALDH1A1LMNAOPRM1NPSR1GAA | |
| SCHEMBL6163724 | 0.85 | ALDH1A1 (0.65) | ALDH1A1LMNAOPRM1NPSR1GAA | |
| SCHEMBL6772954 | 0.84 | OPRM1 (0.78) | OPRM1HSP90AB1TP53 | |
| SCHEMBL6777584 | 0.83 | ALDH1A1 (0.53) | ALDH1A1LMNANPSR1KMT2ATP53 | |
| SCHEMBL6771525 | 0.81 | OPRM1 (0.50) | ALDH1A1LMNAOPRM1NPSR1GAA | |
| SCHEMBL6766537 | 0.81 | ALDH1A1 (0.41) | ALDH1A1LMNANPSR1KMT2ATP53 | |
| SCHEMBL6777174 | 0.81 | OPRM1 (0.58) | OPRM1HSP90AB1TP53HSP90AA1CA1 | |
| SCHEMBL6771516 | 0.81 | OPRM1 (0.58) | OPRM1HSP90AB1TP53HSP90AA1CA1 | |
| SCHEMBL6767112 | 0.81 | OPRM1 (0.58) | OPRM1HSP90AB1TP53CA1CA2 |
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 |