Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.38 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | BCL3 | P20749 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3579583 | 0.79 | SMN1; SMN2 (0.46) | ALDH1A1PDE1BMAPTHTTSMN1; SMN2 | |
| SCHEMBL3585667 | 0.77 | MEN1 (0.48) | ALDH1A1MAPTPOLBSMN1; SMN2NR1H4 | |
| SCHEMBL5317422 | 0.77 | NPC1 (0.46) | ALDH1A1KDM5BMAPTPOLBSMN1; SMN2 | |
| SCHEMBL3586746 | 0.76 | SMN1; SMN2 (0.43) | ALDH1A1PDE1BMAPTHTTSMN1; SMN2 | |
| SCHEMBL3588294 | 0.63 | TP53 (0.48) | ALDH1A1MAPTHTTSMN1; SMN2MAPK1 | |
| SCHEMBL3587206 | 0.62 | KDM4E (0.43) | ALDH1A1PDE1BMAPTGAA | |
| SCHEMBL29339969 | 0.62 | DRD1 (0.47) | PDE1BPOLBSMN1; SMN2 | |
| SCHEMBL367325 | 0.61 | SMN1; SMN2 (0.44) | ALDH1A1PDE1BMAPTSMN1; SMN2NR1H4 | |
| SCHEMBL29339971 | 0.61 | DRD1 (0.53) | PDE1BSMN1; SMN2 | |
| SCHEMBL29339973 | 0.61 | HTR1A (0.42) | ALDH1A1POLBSMN1; SMN2 |
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-1836188-A1 | PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES | Astex Therapeutics Limited (GB) | 2007-09-26 | — | — | EP | disclosed |
| WO-2006070198-A1 | PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-06 | — | — | WO | disclosed |