Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 3/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | KIT | P10721 | 2/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 4/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17452918 | 0.83 | ROCK2 (0.49) | ROCK1ROCK2KITUSP30CCNA2 | |
| SCHEMBL20229826 | 0.82 | CSF1R (0.40) | ROCK1ROCK2KITPOLBTSHR | |
| SCHEMBL19902500 | 0.81 | ROCK1 (0.40) | ROCK1ROCK2USP30CCNA2CDK2 | |
| SCHEMBL17452946 | 0.73 | ROCK2 (0.51) | ROCK1ROCK2KITUSP30CCNA2 | |
| SCHEMBL17452908 | 0.72 | ROCK2 (0.49) | ROCK1ROCK2KITUSP30TSHR | |
| SCHEMBL19902496 | 0.71 | ROCK1 (0.42) | ROCK1ROCK2POLBTSHR | |
| SCHEMBL19902724 | 0.71 | ROCK1 (0.42) | ROCK1ROCK2USP30CCNA2CDK2 | |
| SCHEMBL17454525 | 0.70 | ROCK2 (0.50) | ROCK1ROCK2KITUSP30CCNA2 | |
| SCHEMBL19902435 | 0.70 | ROCK1 (0.39) | ROCK1ROCK2KITUSP30POLB | |
| SCHEMBL17452903 | 0.70 | ROCK2 (0.50) | ROCK1ROCK2KIT |
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 |