Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 4/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CAMK1D | Q8IU85 | 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 | |
|---|---|---|---|---|
| SCHEMBL29640913 | 0.93 | ROCK2 (0.42) | HCRTR1HCRTR2ROCK2ROCK1SCN9A | |
| SCHEMBL29640909 | 0.91 | SCN9A (0.42) | HCRTR1HCRTR2ROCK2ROCK1SCN9A | |
| SCHEMBL29640795 | 0.86 | ROCK2 (0.42) | HCRTR1HCRTR2ROCK2ROCK1PDE10A | |
| SCHEMBL29627955 | 0.85 | ROCK2 (0.42) | HCRTR1HCRTR2ROCK2ROCK1SCN9A | |
| SCHEMBL29627925 | 0.81 | ROCK2 (0.43) | HCRTR1HCRTR2ROCK2ROCK1SCN9A | |
| SCHEMBL29627935 | 0.81 | ROCK2 (0.52) | HCRTR1HCRTR2ROCK2ROCK1SCN9A | |
| SCHEMBL29627983 | 0.80 | SCN9A (0.45) | ROCK2ROCK1SCN9ANAMPT | |
| SCHEMBL29640758 | 0.80 | ROCK2 (0.41) | HCRTR1HCRTR2ROCK2ROCK1PDE10A | |
| SCHEMBL29627937 | 0.79 | ROCK2 (0.54) | ROCK2ROCK1 | |
| SCHEMBL29640451 | 0.79 | ROCK2 (0.44) | ROCK2ROCK1KDM4EALDH1A1HPGD |
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 |