Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 6/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | TIPARP | Q7Z3E1 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 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 | |
|---|---|---|---|---|
| SCHEMBL29640835 | 0.82 | ADORA2A (0.38) | ROCK2ROCK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29640818 | 0.82 | ROCK1 (0.35) | ROCK2ROCK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29640772 | 0.81 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19TDP1 | |
| SCHEMBL29640917 | 0.80 | TRPV3 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19TDP1 | |
| SCHEMBL16637778 | 0.77 | ROCK2 (0.53) | ROCK2ROCK1TIPARPLMNAMAPT | |
| SCHEMBL20769749 | 0.74 | ROCK2 (0.52) | ROCK2ROCK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29627895 | 0.73 | ROCK2 (0.51) | ROCK2ROCK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29627938 | 0.73 | ROCK2 (0.51) | ROCK2ROCK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22229560 | 0.71 | ROCK2 (0.52) | ROCK2ROCK1NPC1CYP1A2CYP3A4 | |
| SCHEMBL30189442 | 0.71 | ROCK2 (0.52) | ROCK2ROCK1NPC1CYP1A2CYP3A4 |
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 |