Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 8/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.34 |
| ▸ | CBFB | Q13951 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL29640451 | 0.87 | ROCK2 (0.44) | ROCK2ROCK1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL29640901 | 0.86 | HCRTR1 (0.41) | ROCK2ROCK1PDE10AALDH1A1KDM4E | |
| SCHEMBL29640913 | 0.85 | ROCK2 (0.42) | ROCK2ROCK1MAPTHCRTR1HCRTR2 | |
| SCHEMBL29640909 | 0.84 | SCN9A (0.42) | ROCK2ROCK1HCRTR1HCRTR2 | |
| SCHEMBL29627935 | 0.83 | ROCK2 (0.52) | ROCK2ROCK1PDE10AHCRTR1HCRTR2 | |
| SCHEMBL29640758 | 0.82 | ROCK2 (0.41) | ROCK2ROCK1PDE10AHCRTR1HCRTR2 | |
| SCHEMBL29627937 | 0.82 | ROCK2 (0.54) | ROCK2ROCK1 | |
| SCHEMBL29640938 | 0.80 | ROCK2 (0.42) | ROCK2ROCK1PDE10AHCRTR1HCRTR2 | |
| SCHEMBL29627955 | 0.80 | ROCK2 (0.42) | ROCK2ROCK1KDM4EHCRTR1HCRTR2 | |
| SCHEMBL20769697 | 0.79 | ROCK2 (0.55) | ROCK2ROCK1ALDH1A1SMN1; SMN2KDM4E |
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 |