Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | STS | P08842 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 2/20 | 0.39 |
| ▸ | MMP3 | P08254 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5720826 | 0.87 | BRD4 (0.55) | AURKACCNA2CDK2CCNA1MAPK1 | |
| SCHEMBL29844187 | 0.85 | MAPK1 (0.47) | NPC1MAPK1GPR119BRD4CREBBP | |
| SCHEMBL5720884 | 0.84 | CCNA2 (0.63) | NPC1AURKACCNA2CDK2CCNA1 | |
| SCHEMBL6439338 | 0.80 | HTT (0.51) | HTTALDH1A1GPR119MAPTKDM4E | |
| SCHEMBL19358345 | 0.79 | HTR7 (0.46) | AURKACCNA2CDK2CCNA1MAPK1 | |
| SCHEMBL5720897 | 0.79 | NPC1 (0.52) | NPC1AURKACCNA2CDK2CCNA1 | |
| SCHEMBL4712216 | 0.78 | MAPK1 (0.56) | NPC1MAPK1BRD4CREBBP | |
| SCHEMBL2975661 | 0.78 | MAPK1 (0.56) | NPC1MAPK1BRD4CREBBP | |
| SCHEMBL4762437 | 0.78 | MAPK1 (0.72) | NPC1MAPK1BRD4CREBBP | |
| SCHEMBL10095067 | 0.77 | BRD4 (0.67) | NPC1MAPK1BRD4CREBBP |
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-1527074-A1 | BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Pharmacia Italia S.p.A. (IT) | 2005-05-04 | — | — | EP | disclosed |
| WO-2004013144-A1 | BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | PHARMACIA ITALIA SPA (IT) | 2004-02-12 | — | — | WO | disclosed |