Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 4/20 | 0.55 |
| ▸ | CDK8 | P49336 | 4/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 4/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 6/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.42 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.42 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 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 | |
|---|---|---|---|---|
| SCHEMBL19902506 | 0.89 | USP30 (0.52) | CCNCCDK8ROCK1AURKAAURKB | |
| SCHEMBL17452984 | 0.88 | ROCK2 (0.61) | CCNCCDK8ROCK1AURKAAURKB | |
| SCHEMBL19902716 | 0.88 | USP30 (0.51) | CCNCCDK8ROCK1AURKAAURKB | |
| SCHEMBL19902593 | 0.87 | USP30 (0.54) | CCNCCDK8ROCK1AURKAAURKB | |
| SCHEMBL19902646 | 0.86 | USP30 (0.55) | CCNCCDK8ROCK1AURKAAURKB | |
| SCHEMBL19902513 | 0.84 | GSK3B (0.46) | CCNCCDK8ROCK1ROCK2GSK3B | |
| SCHEMBL20229658 | 0.83 | GSK3B (0.46) | CCNCCDK8ROCK1ROCK2GSK3B | |
| SCHEMBL19902640 | 0.83 | ROCK2 (0.48) | ROCK1ROCK2GSK3BDYRK1AMEN1 | |
| SCHEMBL19902349 | 0.82 | MEN1 (0.44) | ROCK1ROCK2MEN1NPC1RAB9A | |
| SCHEMBL19902655 | 0.82 | USP30 (0.56) | CCNCCDK8ROCK1ROCK2GSK3B |
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 |