Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.48 |
| ▸ | CTSS | P25774 | 3/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3R1 | P27986 | 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 | |
|---|---|---|---|---|
| SCHEMBL29627867 | 0.83 | CTSS (0.44) | HTR1ACTSSROCK2RIPK1PANK3 | |
| SCHEMBL20769697 | 0.82 | ROCK2 (0.55) | CTSSROCK2ROCK1 | |
| SCHEMBL29640845 | 0.82 | ROCK2 (0.55) | CTSSROCK2ROCK1 | |
| SCHEMBL14816898 | 0.78 | ROCK2 (0.42) | CTSSROCK2ROCK1PANK3 | |
| SCHEMBL29908218 | 0.74 | ROCK2 (0.39) | HTR1ACTSSROCK2ROCK1RIPK1 | |
| SCHEMBL22242874 | 0.74 | ROCK1 (0.46) | HTR1AROCK2ROCK1ADORA2ANAMPT | |
| SCHEMBL24506715 | 0.74 | CTSS (0.39) | HTR1ACTSSRIPK1PANK3 | |
| Hydrochloric Acid SCHEMBL20769745 | 0.73 | ROCK1 (0.45) | HTR1AROCK2ROCK1ADORA2ANAMPT | |
| Hydrochloric Acid SCHEMBL29640912 | 0.73 | ROCK1 (0.45) | HTR1AROCK2ROCK1ADORA2ANAMPT | |
| SCHEMBL20769711 | 0.72 | ROCK2 (0.44) | CTSSROCK2ROCK1ADORA2ANAMPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |