Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 17/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.52 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL16377301 | 0.79 | ROCK2 (0.74) | ROCK2ROCK1 | |
| SCHEMBL18901101 | 0.77 | ROCK2 (0.52) | ROCK2ROCK1AAK1KMT2A | |
| SCHEMBL16377362 | 0.73 | ROCK2 (0.70) | ROCK2ROCK1 | |
| SCHEMBL17453005 | 0.72 | ROCK2 (0.51) | ROCK2ROCK1KMT2A | |
| SCHEMBL16345344 | 0.69 | ROCK2 (1.00) | ROCK2ROCK1 | |
| SCHEMBL17783532 | 0.69 | ROCK2 (1.00) | ROCK2ROCK1 | |
| SCHEMBL17783513 | 0.69 | ROCK2 (1.00) | ROCK2ROCK1 | |
| SCHEMBL17783512 | 0.69 | ROCK2 (1.00) | ROCK2ROCK1 | |
| SCHEMBL17452501 | 0.67 | ROCK2 (0.41) | ROCK2ROCK1AAK1 | |
| SCHEMBL17783369 | 0.66 | ROCK2 (1.00) | ROCK2ROCK1 |
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 |