Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 19/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 19/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19902379 | 0.87 | ROCK2 (0.52) | ROCK2ROCK1 | |
| SCHEMBL20229914 | 0.86 | ROCK2 (0.44) | ROCK2ROCK1PARP1 | |
| SCHEMBL19902407 | 0.81 | ROCK2 (0.51) | ROCK2ROCK1 | |
| SCHEMBL17452930 | 0.81 | ROCK2 (0.56) | ROCK2ROCK1 | |
| SCHEMBL19902635 | 0.79 | ROCK2 (0.45) | ROCK2ROCK1 | |
| SCHEMBL19902719 | 0.78 | ROCK2 (0.52) | ROCK2ROCK1 | |
| SCHEMBL20229925 | 0.74 | PARP1 (0.41) | ROCK2ROCK1PARP1 | |
| SCHEMBL20229895 | 0.74 | PARP1 (0.41) | ROCK2PARP1 | |
| SCHEMBL20229939 | 0.73 | BRD4 (0.39) | ROCK2PARP1 | |
| SCHEMBL19902509 | 0.72 | USP30 (0.46) | ROCK2ROCK1PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |