Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 18/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | LTK | P29376 | 1/20 | 0.36 |
| ▸ | GRK5 | P34947 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30744170 | 0.91 | ROCK2 (0.49) | ROCK2ROCK1MYLK4 | |
| SCHEMBL23501244 | 0.91 | ROCK2 (0.49) | ROCK2ROCK1MYLK4 | |
| SCHEMBL23501376 | 0.88 | ROCK2 (0.37) | ROCK2ROCK1MYLK4PIM1 | |
| SCHEMBL23501373 | 0.86 | ROCK2 (0.38) | ROCK2ROCK1MYLK4 | |
| SCHEMBL28401817 | 0.85 | ROCK2 (0.50) | ROCK2ROCK1MYLK4CHEK1AURKA | |
| SCHEMBL28577772 | 0.85 | ROCK2 (0.50) | ROCK2ROCK1MYLK4CHEK1AURKA | |
| SCHEMBL28405939 | 0.85 | ROCK2 (0.48) | ROCK2ROCK1MYLK4CHEK1AURKA | |
| SCHEMBL23927580 | 0.83 | ROCK2 (0.34) | ROCK2ROCK1MYLK4 | |
| SCHEMBL23522316 | 0.83 | ROCK2 (0.37) | ROCK2ROCK1MYLK4DYRK1A | |
| SCHEMBL23927576 | 0.81 | ROCK2 (0.36) | ROCK2ROCK1MYLK4 |
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-111217834-B | Nitroxide derivatives of ROCK kinase inhibitors | 维眸生物科技（上海）有限公司 | 2021-10-26 | — | — | CN | disclosed |
| CN-111217834-A | Nitroxide derivatives of ROCK kinase inhibitors | 维眸生物科技（上海）有限公司 | 2020-06-02 | — | — | CN | disclosed |