Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.35 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | MARK3 | P27448 | 1/20 | 0.35 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.35 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.35 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.35 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.35 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.35 |
| ▸ | MARK2 | Q7KZI7 | 1/20 | 0.35 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.35 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18848566 | 0.81 | PDPK1 (0.34) | PDPK1 | |
| SCHEMBL18495139 | 0.78 | ACHE (0.39) | ROCK2ROCK1PLK4NQO2MARK3 | |
| SCHEMBL24672067 | 0.76 | ALDH1A1 (0.41) | PDPK1 | |
| SCHEMBL998210 | 0.76 | CYP3A4 (0.46) | ROCK2ROCK1PLK4NQO2MARK3 | |
| SCHEMBL18599582 | 0.76 | AHR (0.35) | PDPK1 | |
| SCHEMBL18599583 | 0.76 | ROCK2 (0.37) | ROCK2ROCK1PLK4MARK3PRKCD | |
| SCHEMBL18599596 | 0.76 | CYP11B2 (0.37) | CYP11B1CYP11B2 | |
| SCHEMBL18599597 | 0.76 | — | — | |
| SCHEMBL28644536 | 0.73 | ROCK2 (0.47) | ROCK2ROCK1PLK4NQO2MARK3 | |
| SCHEMBL14308389 | 0.72 | ROCK2 (0.36) | ROCK2ROCK1PLK4NQO2MARK3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3138843-A1 | ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR | Medshine Discovery Inc. (CN) | 2017-03-08 | — | — | EP | disclosed |