Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | BCL3 | P20749 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3585667 | 0.86 | MEN1 (0.48) | SMN1; SMN2NR1H4ALDH1A1KDM4EPOLB | |
| SCHEMBL3579583 | 0.78 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1TSHRMAPTMAPK1 | |
| SCHEMBL5317418 | 0.77 | ALDH1A1 (0.40) | SMN1; SMN2NR1H4ALDH1A1POLBGAA | |
| SCHEMBL3586746 | 0.75 | SMN1; SMN2 (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL3588294 | 0.73 | TP53 (0.48) | SMN1; SMN2ALDH1A1KDM4EHPGDTSHR | |
| SCHEMBL13349099 | 0.69 | TP53 (0.41) | SMN1; SMN2ALDH1A1POLBTSHRNPSR1 | |
| SCHEMBL5313924 | 0.65 | MEN1 (0.45) | SMN1; SMN2ALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL1646619 | 0.65 | AURKA (0.41) | NPC1RAB9ASMN1; SMN2ALDH1A1POLB | |
| SCHEMBL5578218 | 0.64 | AURKA (0.44) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL3587206 | 0.63 | KDM4E (0.43) | NPC1RAB9AALDH1A1KDM4EGAA |
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 |