Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 20/20 | 0.69 |
| ▸ | CDC42BPB | Q9Y5S2 | 20/20 | 0.69 |
| ▸ | ROCK2 | O75116 | 17/20 | 0.69 |
| ▸ | CDC42BPA | Q5VT25 | 11/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL1840586 | 0.85 | ROCK1 (0.62) | ROCK1CDC42BPBROCK2CDC42BPA | |
| SCHEMBL20758380 | 0.82 | ROCK1 (0.82) | ROCK1CDC42BPBROCK2CDC42BPA | |
| SCHEMBL20744201 | 0.82 | ROCK1 (1.00) | ROCK1CDC42BPBROCK2CDC42BPA | |
| SCHEMBL20744495 | 0.82 | ROCK1 (0.82) | ROCK1CDC42BPBROCK2CDC42BPA | |
| SCHEMBL29869739 | 0.82 | ROCK1 (1.00) | ROCK1CDC42BPBROCK2CDC42BPA | |
| SCHEMBL24672215 | 0.82 | ROCK1 (1.00) | ROCK1CDC42BPBROCK2CDC42BPA | |
| SCHEMBL30668769 | 0.82 | ROCK1 (0.82) | ROCK1CDC42BPBROCK2CDC42BPA | |
| SCHEMBL24672956 | 0.82 | ROCK2 (1.00) | ROCK1CDC42BPBROCK2CDC42BPA | |
| SCHEMBL29869717 | 0.82 | ROCK2 (1.00) | ROCK1CDC42BPBROCK2CDC42BPA | |
| SCHEMBL24673032 | 0.82 | ROCK2 (1.00) | ROCK1CDC42BPBROCK2CDC42BPA |
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-2320895-A2 | CDK MODULATORS | Exelixis, Inc. (US) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010003133-A2 | CDK MODULATORS | EXELIXIS INC. (US) | 2010-01-07 | — | — | WO | disclosed |