Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 11/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.52 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.42 |
| ▸ | WNT1 | P04628 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19902367 | 0.91 | ROCK1 (0.51) | ROCK1ROCK2HTR4HTR3A | |
| SCHEMBL17452676 | 0.90 | ROCK1 (0.52) | ROCK1ROCK2HTR4DYRK1AHTR3A | |
| SCHEMBL17437882 | 0.85 | ROCK1 (0.51) | ROCK1ROCK2HTR4DYRK1AWNT1 | |
| SCHEMBL17437940 | 0.85 | ROCK1 (0.50) | ROCK1ROCK2HTR4DYRK1AWNT1 | |
| SCHEMBL17438139 | 0.84 | ROCK1 (0.55) | ROCK1ROCK2 | |
| SCHEMBL17452673 | 0.83 | ROCK2 (0.49) | ROCK1ROCK2HTR4HTR3A | |
| SCHEMBL17438005 | 0.82 | ROCK1 (0.53) | ROCK1ROCK2DYRK1AWNT1HTR3A | |
| SCHEMBL17437832 | 0.81 | ROCK1 (0.49) | ROCK1ROCK2HTR3A | |
| SCHEMBL17452536 | 0.81 | ROCK2 (0.49) | ROCK1ROCK2HTR4HTR3A | |
| SCHEMBL17438021 | 0.81 | ROCK2 (0.49) | ROCK1ROCK2HTR4HTR3A |
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 |