Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | FRK | P42685 | 1/20 | 0.35 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.35 |
| ▸ | SORD | Q00796 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | GSK3B | P49841 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 2/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29640818 | 0.85 | ROCK1 (0.35) | ROCK1ROCK2SORDCYP1A2CYP2D6 | |
| SCHEMBL29640917 | 0.85 | TRPV3 (0.39) | TRPV3CYP1A2CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL29640772 | 0.84 | CYP1A2 (0.39) | SORDCYP1A2CYP2D6GSK3BALDH1A1 | |
| SCHEMBL29627931 | 0.84 | TRPV1 (0.39) | ADORA2ATRPV3ROCK1ROCK2CYP1A2 | |
| SCHEMBL29640770 | 0.82 | ROCK2 (0.47) | ROCK1ROCK2CYP1A2CYP2D6GSK3B | |
| SCHEMBL29627968 | 0.71 | ROCK2 (0.44) | ADORA2ATRPV3ROCK1ROCK2NAMPT | |
| SCHEMBL20769711 | 0.71 | ROCK2 (0.44) | ADORA2AROCK1ROCK2NAMPT | |
| SCHEMBL20769693 | 0.71 | ADORA2A (0.46) | ADORA2ATRPV3ROCK1ROCK2NAMPT | |
| SCHEMBL29640809 | 0.70 | GSK3B (0.36) | MAPK9MAP4K4EGFRFRKCSNK1A1 | |
| SCHEMBL22229600 | 0.69 | ROCK2 (0.39) | ADORA2AROCK1ROCK2NAMPT |
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-114502163-A | Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors | 安吉昂生物医药公司 | 2022-05-13 | — | — | CN | disclosed |