Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 12/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086053 | 0.96 | ROCK2 (0.43) | ROCK2ROCK1HDAC6MAPK14CYP3A4 | |
| SCHEMBL19086020 | 0.93 | ROCK2 (0.44) | ROCK2ROCK1HDAC6MAPK14CYP3A4 | |
| SCHEMBL19086141 | 0.93 | ROCK2 (0.44) | ROCK2ROCK1HDAC6MAPK14CYP3A4 | |
| SCHEMBL19086047 | 0.92 | ROCK2 (0.44) | ROCK2ROCK1HDAC6MAPK14CYP3A4 | |
| SCHEMBL19086052 | 0.92 | ROCK2 (0.46) | ROCK2ROCK1HDAC6MAPK14CYP3A4 | |
| SCHEMBL19086056 | 0.89 | ROCK2 (0.43) | ROCK2ROCK1HDAC6MAPK14CYP3A4 | |
| SCHEMBL19086049 | 0.88 | ROCK2 (0.43) | ROCK2ROCK1HDAC6MAPK14CYP3A4 | |
| SCHEMBL19086051 | 0.88 | ROCK2 (0.48) | ROCK2ROCK1HDAC6MAPK14CYP3A4 | |
| SCHEMBL19086054 | 0.88 | ROCK2 (0.41) | ROCK2ROCK1HDAC6MAPK14CYP3A4 | |
| SCHEMBL19086046 | 0.88 | ROCK2 (0.41) | ROCK2ROCK1HDAC6MAPK14CYP3A4 |
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-2017114275-A1 | COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME | 成都先导药物开发有限公司 | 2017-07-06 | — | — | WO | disclosed |