Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 11/20 | 0.68 |
| ▸ | ROCK1 | Q13464 | 11/20 | 0.68 |
| ▸ | PRKCD | Q05655 | 4/20 | 0.68 |
| ▸ | PLK4 | O00444 | 2/20 | 0.68 |
| ▸ | MARK3 | P27448 | 2/20 | 0.68 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.68 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.68 |
| ▸ | MARK2 | Q7KZI7 | 2/20 | 0.68 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.68 |
| ▸ | PRKD2 | Q9BZL6 | 2/20 | 0.68 |
| ▸ | NQO2 | P16083 | 1/20 | 0.68 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.68 |
| ▸ | CDK9 | P50750 | 1/20 | 0.68 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.68 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.68 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.68 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.68 |
| ▸ | PRKACA | P17612 | 4/20 | 0.59 |
| ▸ | PRKD3 | O94806 | 3/20 | 0.59 |
| ▸ | PRKCZ | Q05513 | 3/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL23795409 | 1.00 | ROCK2 (0.68) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| SCHEMBL23795376 | 1.00 | ROCK2 (0.68) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| Trifluoroacetic Acid SCHEMBL23795341 | 0.94 | ROCK2 (0.61) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| Trifluoroacetic Acid SCHEMBL23795404 | 0.94 | ROCK2 (0.61) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| Trifluoroacetic Acid SCHEMBL30439071 | 0.94 | ROCK2 (0.61) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| Trifluoroacetic Acid SCHEMBL30438747 | 0.94 | ROCK2 (0.61) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| Hydrochloric Acid SCHEMBL6970608 | 0.88 | ROCK2 (0.67) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| Hydrochloric Acid SCHEMBL6970600 | 0.88 | ROCK2 (0.67) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| SCHEMBL23795327 | 0.88 | ROCK1 (0.59) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| SCHEMBL23795325 | 0.88 | ROCK1 (0.59) | ROCK2ROCK1PRKCDPLK4MARK3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111116555-B | Rho kinase inhibitor and preparation method and application thereof | 北京盈科瑞创新药物研究有限公司 | 2023-06-02 | — | — | CN | disclosed |