Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CDK1 | P06493 | 3/20 | 0.36 |
| ▸ | CDK2 | P24941 | 3/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
| ▸ | STK17A | Q9UEE5 | 2/20 | 0.36 |
| ▸ | STIM1 | Q13586 | 2/20 | 0.36 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.36 |
| ▸ | ABL1 | P00519 | 2/20 | 0.36 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | PRKCG | P05129 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | FES | P07332 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 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 | |
|---|---|---|---|---|
| SCHEMBL3591831 | 0.79 | MEN1 (0.42) | MEN1KMT2ACDK1CDK2ROCK1 | |
| SCHEMBL5316740 | 0.70 | NPC1 (0.47) | MEN1KMT2AABL1MAPTKDM4E | |
| SCHEMBL5578150 | 0.62 | CDK1 (0.45) | MEN1KMT2ACDK1CDK2ROCK1 | |
| SCHEMBL5578299 | 0.61 | CDK1 (0.43) | MEN1KMT2ACDK1CDK2ROCK1 | |
| SCHEMBL5578253 | 0.61 | MEN1 (0.40) | MEN1KMT2ACDK1CDK2MAPT | |
| SCHEMBL5578275 | 0.61 | JAK2 (0.46) | MEN1KMT2ACDK1CDK2ROCK1 | |
| SCHEMBL5578220 | 0.60 | CDK1 (0.41) | MEN1KMT2ACDK1CDK2ROCK1 | |
| SCHEMBL16017300 | 0.60 | LMNA (0.43) | MEN1KMT2ASTIM1ORAI1IRAK4 | |
| SCHEMBL5579217 | 0.60 | MEN1 (0.41) | MEN1KMT2ACDK1CDK2ROCK1 | |
| SCHEMBL3585842 | 0.59 | MAPT (0.44) | MEN1KMT2AMAPTHTTKDM4E |
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 |