Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 3/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 4/20 | 0.38 |
| ▸ | MET | P08581 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20229895 | 0.81 | PARP1 (0.41) | PARP1ROCK2LMNAMAPTKMT2A | |
| SCHEMBL17452936 | 0.81 | ROCK2 (0.57) | USP30ROCK1AURKAAURKBCCNC | |
| SCHEMBL20229939 | 0.79 | BRD4 (0.39) | PARP1ROCK2HPGDSLMNAMAPT | |
| SCHEMBL19902506 | 0.78 | USP30 (0.52) | USP30ROCK1AURKAAURKBCCNC | |
| SCHEMBL20229925 | 0.78 | PARP1 (0.41) | ROCK1PARP1ROCK2LMNAMAPT | |
| SCHEMBL20229914 | 0.78 | ROCK2 (0.44) | ROCK1PARP1ROCK2 | |
| SCHEMBL20229916 | 0.77 | ROCK1 (0.49) | ROCK1PARP1ROCK2PRMT5WDR77 | |
| SCHEMBL19902407 | 0.76 | ROCK2 (0.51) | ROCK1ROCK2 | |
| SCHEMBL19902520 | 0.75 | ROCK1 (0.40) | ROCK1PARP1ROCK2PRMT5WDR77 | |
| SCHEMBL19902379 | 0.75 | ROCK2 (0.52) | ROCK1ROCK2 |
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 |