Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 4/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | BUB1 | O43683 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CSNK2A2 | P19784 | 3/20 | 0.32 |
| ▸ | CSNK2B | P67870 | 3/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6164099 | 0.81 | HTT (0.66) | ALDH1A1MAPTHTTALPLLMNA | |
| SCHEMBL6167293 | 0.79 | HTT (0.42) | ALDH1A1MAPTHTTLMNATSHR | |
| SCHEMBL23082898 | 0.78 | RAB9A (0.41) | ALDH1A1MAPTHTTLMNAKMT2A | |
| SCHEMBL6162867 | 0.76 | ALDH1A1 (0.49) | ALDH1A1MAPTHTTLMNATSHR | |
| SCHEMBL6166641 | 0.75 | ALPL (0.40) | ALDH1A1ALPLLMNATSHRCSNK2A1 | |
| SCHEMBL6162505 | 0.75 | ALPL (0.67) | ALDH1A1HTTALPLLMNAKMT2A | |
| SCHEMBL6164696 | 0.74 | HTT (0.61) | ALDH1A1MAPTHTTLMNATSHR | |
| SCHEMBL6776541 | 0.74 | ALDH1A1 (0.47) | ALDH1A1MAPTHTTALPLLMNA | |
| SCHEMBL6166860 | 0.73 | HTT (0.37) | ALDH1A1MAPTHTTLMNATSHR | |
| SCHEMBL6777584 | 0.72 | ALDH1A1 (0.53) | ALDH1A1MAPTHTTLMNATSHR |
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 4 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 |
| 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 |