Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 9/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.49 |
| ▸ | TIPARP | Q7Z3E1 | 2/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29627938 | 0.86 | ROCK2 (0.51) | ROCK2ROCK1TIPARPPDE10AHCRTR1 | |
| SCHEMBL29627910 | 0.84 | MGLL (0.41) | ROCK2ROCK1TIPARP | |
| SCHEMBL29627865 | 0.82 | ROCK2 (0.44) | ROCK2ROCK1MTORMAPTHCRTR1 | |
| SCHEMBL29627929 | 0.80 | HTR3A (0.43) | — | |
| SCHEMBL20769749 | 0.78 | ROCK2 (0.52) | ROCK2ROCK1TIPARPPDE10AMAPT | |
| SCHEMBL29674712 | 0.78 | ROCK2 (0.58) | ROCK2ROCK1TIPARPMAPTHCRTR1 | |
| SCHEMBL29627895 | 0.77 | ROCK2 (0.51) | ROCK2ROCK1TIPARPPDE10AHCRTR1 | |
| SCHEMBL16637499 | 0.77 | ROCK2 (0.57) | ROCK2ROCK1TIPARPMAPTNPC1 | |
| SCHEMBL29640959 | 0.75 | ROCK2 (0.42) | ROCK2ROCK1TIPARPPDE10AMTOR | |
| SCHEMBL20769697 | 0.75 | ROCK2 (0.55) | ROCK2ROCK1TIPARP |
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 |