Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19902435 | 0.88 | ROCK1 (0.39) | ROCK1ROCK2PARP1PRMT5WDR77 | |
| SCHEMBL19902653 | 0.87 | ROCK1 (0.39) | ROCK1ROCK2PARP1PRMT5WDR77 | |
| SCHEMBL19902429 | 0.80 | CSF1R (0.40) | ROCK1ROCK2CSF1RCCNA2CDK2 | |
| SCHEMBL17452957 | 0.79 | ROCK2 (0.49) | ROCK1ROCK2PRMT5WDR77USP30 | |
| SCHEMBL20229826 | 0.75 | CSF1R (0.40) | ROCK1ROCK2PARP1TSHRCSF1R | |
| SCHEMBL19902410 | 0.72 | ROCK1 (0.45) | ROCK1ROCK2CSF1RCCNA2CDK2 | |
| SCHEMBL17452980 | 0.71 | ROCK2 (0.53) | ROCK1ROCK2CSF1RCCNA2CDK2 | |
| SCHEMBL19902591 | 0.70 | CSF1R (0.46) | ROCK1ROCK2PRMT5WDR77CSF1R | |
| SCHEMBL19902598 | 0.69 | CSF1R (0.42) | ROCK1ROCK2CSF1RCCNA2CDK2 | |
| SCHEMBL19902434 | 0.69 | CSF1R (0.42) | ROCK1ROCK2CSF1RCCNA2CDK2 |
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 |