Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 2/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.45 |
| ▸ | PRKACA | P17612 | 2/20 | 0.44 |
| ▸ | PRKX | P51817 | 2/20 | 0.44 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.44 |
| ▸ | GRK5 | P34947 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL4476147 | 0.79 | ROCK1 (0.55) | ROCK2PRKACAROCK1CYP3A4 | |
| SCHEMBL4476811 | 0.76 | ROCK1 (0.58) | HDAC6MMP13ROCK2PRKACAPRKX | |
| SCHEMBL3336570 | 0.71 | L3MBTL1 (0.47) | CYP3A4CYP2D6CYP2C9SMN1; SMN2TP53 | |
| SCHEMBL13688490 | 0.70 | ALDH1A1 (0.61) | ALDH1A1GAAMMP13ROCK2PRKACA | |
| SCHEMBL13940425 | 0.69 | MMP13 (0.90) | ALDH1A1GAAMMP13ROCK2PRKACA | |
| SCHEMBL4476225 | 0.69 | L3MBTL1 (0.45) | ROCK1CYP3A4L3MBTL1 | |
| SCHEMBL5334260 | 0.69 | MMP13 (0.85) | ALDH1A1GAAMMP13ROCK2PRKACA | |
| SCHEMBL15705225 | 0.68 | L3MBTL1 (0.45) | ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL20292874 | 0.67 | ALDH1A1 (0.53) | ALDH1A1GAAMMP13CYP3A4CYP2D6 | |
| SCHEMBL4478038 | 0.67 | L3MBTL1 (0.46) | ALDH1A1SMN1; SMN2L3MBTL1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7514448-B2 | Azaindoles useful as inhibitors of rock and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-04-07 | — | — | US | disclosed |
| US-7514448-B2 | Azaindoles useful as inhibitors of rock and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-04-07 | — | — | US | disclosed |
| US-7514448-B2 | Azaindoles useful as inhibitors of rock and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-04-07 | — | — | US | disclosed |
| EP-1756108-A2 | AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2007-02-28 | — | — | EP | disclosed |
| US-20060003968-A1 | Azaindoles useful as inhibitors of rock and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2006-01-05 | — | — | US | disclosed |
| WO-2005103050-A2 | AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-11-03 | — | — | WO | 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-20060003968-A1 | Azaindoles useful as inhibitors of rock and other protein kinases | ROCK2, ROCK1, TNK2 | ALDH1A1 4413/4885GAA 1724/4885HDAC6 398/4885 |
“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.