Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 10/20 | 0.43 |
| ▸ | AURKA | O14965 | 9/20 | 0.43 |
| ▸ | CDK2 | P24941 | 8/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16893098 | 0.88 | AURKA (0.56) | MAPK1AURKACDK2ROCK1 | |
| SCHEMBL16893015 | 0.87 | AURKA (0.48) | MAPK1AURKACDK2ROCK2ROCK1 | |
| SCHEMBL16893016 | 0.87 | AURKA (0.59) | MAPK1AURKACDK2 | |
| SCHEMBL14368148 | 0.87 | AURKA (0.58) | MAPK1AURKACDK2ROCK2ROCK1 | |
| SCHEMBL16893090 | 0.82 | AURKA (0.45) | MAPK1AURKACDK2ROCK2ROCK1 | |
| SCHEMBL16893029 | 0.81 | AURKA (0.48) | MAPK1AURKACDK2ROCK2ROCK1 | |
| SCHEMBL16893004 | 0.79 | AURKA (0.49) | MAPK1AURKACDK2ROCK2ROCK1 | |
| SCHEMBL16893118 | 0.78 | AURKA (0.60) | MAPK1AURKACDK2ROCK2 | |
| SCHEMBL16893007 | 0.78 | AURKA (0.62) | MAPK1AURKACDK2ROCK1 | |
| SCHEMBL16893108 | 0.78 | MAPK1 (0.42) | MAPK1AURKACDK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1363906-B1 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMA (US) | 2015-07-15 | — | — | EP | claimed |