Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 12/20 | 0.51 |
| ▸ | CDK2 | P24941 | 10/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6992727 | 0.89 | AURKA (0.64) | AURKACDK2MAPK1CNR1 | |
| SCHEMBL16893129 | 0.86 | CNR1 (0.41) | AURKACDK2MAPK1CNR1KDM4E | |
| SCHEMBL5390965 | 0.80 | AURKA (0.50) | AURKACDK2MAPK1ROCK1 | |
| SCHEMBL5390985 | 0.79 | AURKA (0.68) | AURKACDK2MAPK1ROCK1 | |
| SCHEMBL5416820 | 0.78 | AURKA (0.54) | AURKACDK2MAPK1 | |
| SCHEMBL14368152 | 0.78 | AURKA (0.80) | AURKACDK2MAPK1ROCK1 | |
| SCHEMBL5403774 | 0.78 | AURKA (0.47) | AURKACDK2MAPK1 | |
| SCHEMBL5403674 | 0.78 | AURKA (0.61) | AURKACDK2MAPK1ROCK1 | |
| SCHEMBL7089663 | 0.78 | AURKA (0.63) | AURKACDK2MAPK1ROCK1 | |
| SCHEMBL7093173 | 0.77 | AURKA (0.70) | AURKACDK2MAPK1ROCK1 |
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-1363906-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002064586-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-22 | — | — | WO | disclosed |