Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 15/20 | 0.80 |
| ▸ | ROCK2 | O75116 | 13/20 | 0.80 |
| ▸ | MAPT | P10636 | 3/20 | 0.74 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.74 |
| ▸ | MEN1 | O00255 | 2/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.70 |
| ▸ | APP | P05067 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL2560085 | 0.89 | ROCK1 (1.00) | ROCK1ROCK2MAPTMAPK1MEN1 | |
| Hydrochloric Acid SCHEMBL2563075 | 0.88 | ROCK1 (0.98) | ROCK1ROCK2MAPTMAPK1MEN1 | |
| SCHEMBL2557459 | 0.88 | ROCK1 (0.82) | ROCK1ROCK2MAPTALDH1A1 | |
| SCHEMBL2556167 | 0.85 | ROCK1 (1.00) | ROCK1ROCK2 | |
| SCHEMBL2554542 | 0.85 | ROCK1 (0.92) | ROCK1ROCK2MAPTMAPK1MEN1 | |
| SCHEMBL13357587 | 0.82 | ROCK1 (1.00) | ROCK1ROCK2MAPTMAPK1MEN1 | |
| SCHEMBL2554646 | 0.82 | ROCK1 (1.00) | ROCK1ROCK2 | |
| SCHEMBL91611 | 0.81 | FPR2 (0.55) | ROCK1ROCK2MAPTMAPK1KMT2A | |
| SCHEMBL2559310 | 0.81 | ROCK1 (0.81) | ROCK1ROCK2 | |
| SCHEMBL27183789 | 0.81 | ROCK1 (0.54) | ROCK1ROCK2MAPTMAPK1MEN1 |
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 |