Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.35 |
| ▸ | TAF1 | P21675 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 3/20 | 0.33 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 1/20 | 0.31 |
| ▸ | BRAF | P15056 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.30 |
| ▸ | MAP1LC3A | Q9H492 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29778636 | 1.00 | ROCK2 (0.35) | ROCK2TAF1BRD4CECR2DPP4 | |
| SCHEMBL24616904 | 0.83 | TAF1 (0.36) | ROCK2TAF1BRD4CECR2DPP4 | |
| SCHEMBL29778618 | 0.83 | BRD4 (0.38) | ROCK2TAF1BRD4CECR2TNIK | |
| SCHEMBL24616961 | 0.83 | BRD4 (0.38) | ROCK2TAF1BRD4CECR2TNIK | |
| SCHEMBL24616970 | 0.82 | ROCK2 (0.36) | ROCK2TAF1BRD4CECR2ROCK1 | |
| SCHEMBL29778503 | 0.82 | ROCK2 (0.36) | ROCK2TAF1BRD4CECR2ROCK1 | |
| SCHEMBL24616964 | 0.82 | TAF1 (0.35) | ROCK2TAF1BRD4CECR2ROCK1 | |
| SCHEMBL29778659 | 0.82 | TAF1 (0.35) | ROCK2TAF1BRD4CECR2ROCK1 | |
| SCHEMBL24617475 | 0.81 | GCK (0.38) | ROCK2TAF1BRD4RAF1BRAF | |
| SCHEMBL24617003 | 0.81 | GCK (0.38) | ROCK2TAF1BRD4RAF1BRAF |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117136186-A | Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof | 盖诺斯克公司 | 2023-11-28 | — | — | CN | claimed |
| CN-117136186-A | Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof | 盖诺斯克公司 | 2023-11-28 | — | — | CN | disclosed |
| WO-2022150381-A1 | SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF | Genosco Inc. (US) | 2022-07-14 | — | — | WO | disclosed |