Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 10/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TIPARP | Q7Z3E1 | 2/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
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 | 0.91 | ROCK2 (0.44) | ROCK2ROCK1ACACB | |
| SCHEMBL29627955 | 0.88 | ROCK2 (0.42) | ROCK2ROCK1HCRTR1HCRTR2SCN9A | |
| SCHEMBL29627925 | 0.87 | ROCK2 (0.43) | ROCK2ROCK1HCRTR1HCRTR2SCN9A | |
| SCHEMBL29627937 | 0.87 | ROCK2 (0.54) | ROCK2ROCK1TIPARP | |
| SCHEMBL29627983 | 0.86 | SCN9A (0.45) | ROCK2ROCK1SCN9AACACB | |
| SCHEMBL29627697 | 0.84 | ROCK2 (0.40) | ROCK2ROCK1HCRTR1HCRTR2 | |
| SCHEMBL29640972 | 0.84 | ROCK2 (0.51) | ROCK2ROCK1TIPARP | |
| SCHEMBL29627828 | 0.83 | ROCK2 (0.58) | ROCK2ROCK1 | |
| SCHEMBL29640795 | 0.83 | ROCK2 (0.42) | ROCK2ROCK1PDE10AHCRTR1HCRTR2 | |
| SCHEMBL20769749 | 0.80 | ROCK2 (0.52) | ROCK2ROCK1TIPARPPDE10AHCRTR1 |
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 3 patents. 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 | claimed |
| EP-4003340-A2 | ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS | Angion Biomedica Corp. (US) | 2022-06-01 | — | — | EP | disclosed |
| 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 |