Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 12/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 11/20 | 0.43 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7964139 | 0.89 | CYP11B1 (0.46) | CYP11B2CYP11B1PRKCZADRA2AADRA2B | |
| SCHEMBL30344013 | 0.78 | CYP11B1 (0.43) | CYP11B2CYP11B1PRKCZADRA2AADRA2B | |
| SCHEMBL28033596 | 0.78 | CYP11B2 (0.43) | CYP11B2CYP11B1PRKCZADRA2AADRA2B | |
| SCHEMBL25155485 | 0.78 | CYP11B1 (0.43) | CYP11B2CYP11B1PRKCZADRA2AADRA2B | |
| SCHEMBL29874979 | 0.78 | CYP11B1 (0.43) | CYP11B2CYP11B1PRKCZADRA2AADRA2B | |
| SCHEMBL7964475 | 0.76 | CYP11B2 (0.41) | CYP11B2CYP11B1ITGA4ITGB7 | |
| SCHEMBL28485903 | 0.76 | SLC6A3 (0.49) | SLC6A2SLC6A4SLC6A3KDM4ECYP3A4 | |
| SCHEMBL28389056 | 0.75 | CYP11B1 (0.41) | CYP11B2CYP11B1PRKCZADRA2AADRA2B | |
| SCHEMBL31513789 | 0.69 | SLC6A3 (0.54) | SLC6A2SLC6A4SLC6A3KDM4ECYP3A4 | |
| SCHEMBL30344744 | 0.69 | SLC6A3 (0.50) | SLC6A2SLC6A4SLC6A3KDM4ECYP3A4 |
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 2 patents. 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 |
| CN-111116555-A | Rho kinase inhibitor and preparation method and application thereof | 北京盈科瑞创新药物研究有限公司 | 2020-05-08 | — | — | CN | disclosed |