Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 14/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.58 |
| ▸ | PRKACA | P17612 | 7/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 6/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5924416 | 0.84 | ROCK1 (0.75) | ROCK1CYP3A4PRKACAROCK2CYP2D6 | |
| SCHEMBL439309 | 0.82 | ROCK1 (0.58) | ROCK1CYP3A4PRKACAROCK2CYP2D6 | |
| SCHEMBL437329 | 0.81 | ROCK1 (0.71) | ROCK1CYP3A4PRKACAROCK2CYP2D6 | |
| SCHEMBL437355 | 0.81 | ROCK1 (0.71) | ROCK1CYP3A4PRKACAROCK2CYP2D6 | |
| SCHEMBL5924544 | 0.73 | ROCK1 (0.56) | ROCK1CYP3A4PRKACAROCK2CYP2D6 | |
| SCHEMBL13887808 | 0.73 | ROCK1 (1.00) | ROCK1CYP3A4 | |
| SCHEMBL5924433 | 0.73 | ROCK1 (0.62) | ROCK1CYP3A4PRKACAROCK2 | |
| SCHEMBL5924446 | 0.72 | ROCK1 (0.64) | ROCK1CYP3A4PRKACAROCK2CYP2D6 | |
| SCHEMBL438760 | 0.72 | ROCK1 (0.69) | ROCK1CYP3A4PRKACAROCK2CYP2D6 | |
| SCHEMBL13213849 | 0.71 | ROCK1 (0.57) | ROCK1CYP3A4PRKACAROCK2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-20060122185-A1 | Bicyclic inhibitors of Rho kinase | VERTEX PHARMACEUTICALS INCORPORATED | 2006-06-08 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060122185-A1 | Bicyclic inhibitors of Rho kinase | ROCK1, ROCK2, RHOA | ROCK1 1/4885CYP3A4 3909/4885PRKACA 33/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.