Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | ALPL | P05186 | 2/20 | 0.57 |
| ▸ | OPRM1 | P35372 | 10/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6767582 | 0.88 | ALDH1A1 (0.56) | ALDH1A1NPSR1KMT2ALMNAALPL | |
| SCHEMBL6772480 | 0.87 | ALDH1A1 (0.67) | ALDH1A1NPSR1KMT2ALMNAALPL | |
| SCHEMBL6772068 | 0.86 | ALDH1A1 (0.57) | ALDH1A1NPSR1KMT2ALMNAALPL | |
| SCHEMBL6770581 | 0.85 | ALDH1A1 (0.62) | ALDH1A1NPSR1KMT2ALMNAALPL | |
| SCHEMBL6162256 | 0.84 | OPRM1 (0.50) | ALDH1A1NPSR1KMT2ALMNAOPRM1 | |
| SCHEMBL6167358 | 0.83 | ALDH1A1 (0.57) | ALDH1A1NPSR1KMT2ALMNAALPL | |
| SCHEMBL6166305 | 0.80 | OPRM1 (0.76) | ALDH1A1KMT2ALMNAOPRM1TSHR | |
| SCHEMBL6162867 | 0.80 | ALDH1A1 (0.49) | ALDH1A1NPSR1KMT2ALMNAOPRM1 | |
| SCHEMBL6164280 | 0.78 | OPRM1 (0.45) | ALDH1A1NPSR1KMT2ALMNAOPRM1 | |
| SCHEMBL6165095 | 0.78 | ALDH1A1 (0.58) | ALDH1A1NPSR1KMT2ALMNAALPL |
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-B1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA ITALIA SPA (IT) | 2005-04-20 | — | — | EP | disclosed |
| 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 |