Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 18/20 | 0.82 |
| ▸ | ROCK2 | O75116 | 15/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.72 |
| ▸ | PRKACA | P17612 | 1/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | THRB | P10828 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL2558208 | 0.90 | ROCK1 (1.00) | ROCK1ROCK2CYP3A4PRKACA | |
| Hydrochloric Acid SCHEMBL2559843 | 0.89 | ROCK1 (0.98) | ROCK1ROCK2CYP3A4PRKACA | |
| SCHEMBL2559922 | 0.88 | ROCK1 (0.80) | ROCK1ROCK2ALDH1A1MAPT | |
| SCHEMBL2553941 | 0.87 | ROCK1 (0.93) | ROCK1ROCK2CYP3A4PRKACA | |
| SCHEMBL2561226 | 0.85 | ROCK1 (0.81) | ROCK1ROCK2 | |
| SCHEMBL2554182 | 0.85 | ROCK1 (0.81) | ROCK1ROCK2PRKACA | |
| SCHEMBL2556167 | 0.84 | ROCK1 (1.00) | ROCK1ROCK2PRKACAHTT | |
| SCHEMBL3252649 | 0.84 | ROCK1 (1.00) | ROCK1ROCK2CYP3A4PRKACAALDH1A1 | |
| SCHEMBL2554646 | 0.83 | ROCK1 (1.00) | ROCK1ROCK2 | |
| SCHEMBL6958799 | 0.81 | HTT (0.72) | ROCK1ROCK2CYP3A4PRKACAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011130740-A2 | PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2011-10-20 | — | — | WO | disclosed |