Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 20/20 | 0.57 |
| ▸ | CDC42BPB | Q9Y5S2 | 20/20 | 0.57 |
| ▸ | ROCK2 | O75116 | 19/20 | 0.57 |
| ▸ | CDC42BPA | Q5VT25 | 4/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL24672968 | 0.81 | ROCK1 (0.58) | ROCK1CDC42BPBROCK2CDC42BPA | |
| SCHEMBL28057753 | 0.74 | LRRK2 (0.62) | ROCK1CDC42BPBROCK2CDC42BPA | |
| SCHEMBL2994106 | 0.73 | CDK5 (0.74) | — | |
| SCHEMBL24672457 | 0.73 | ROCK1 (1.00) | ROCK1CDC42BPBROCK2CDC42BPA | |
| SCHEMBL29869812 | 0.73 | ROCK1 (1.00) | ROCK1CDC42BPBROCK2CDC42BPA | |
| SCHEMBL30208799 | 0.73 | MAPK1 (0.60) | ROCK1CDC42BPBROCK2CDC42BPA | |
| SCHEMBL29869781 | 0.72 | TGFBR1 (0.60) | ROCK1ROCK2 | |
| SCHEMBL29869966 | 0.72 | ROCK1 (1.00) | ROCK1CDC42BPBROCK2CDC42BPA | |
| SCHEMBL20744465 | 0.72 | ROCK1 (1.00) | ROCK1CDC42BPBROCK2CDC42BPA | |
| SCHEMBL21893891 | 0.72 | AURKA (0.41) | ROCK1CDC42BPBROCK2CDC42BPA |
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 |
|---|---|---|---|---|---|---|---|
| CN-111278840-B | Pyrrolo [2,3-B ] pyridine compounds and their use for the treatment of cancer | 癌症研究科技有限公司 | 2023-11-17 | — | — | CN | disclosed |