Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 6/20 | 0.51 |
| ▸ | CLK2 | P49760 | 2/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.49 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.49 |
| ▸ | CLK1 | P49759 | 1/20 | 0.49 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.49 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.48 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.46 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.46 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.46 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.46 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30162921 | 1.00 | ROCK1 (0.51) | ROCK1CLK2DYRK1ACLK4DYRK3 | |
| SCHEMBL24934123 | 0.88 | ROCK1 (0.43) | ROCK1CLK2DYRK1ACLK4DYRK3 | |
| SCHEMBL24933426 | 0.85 | ROCK1 (0.48) | ROCK1CLK2DYRK1ACLK4DYRK3 | |
| SCHEMBL18038323 | 0.83 | ROCK1 (0.73) | ROCK1CLK2DYRK1ACLK4DYRK3 | |
| SCHEMBL21348811 | 0.82 | ROCK2 (0.60) | ROCK1CLK2DYRK1ACLK4DYRK3 | |
| SCHEMBL24933427 | 0.82 | ROCK1 (0.64) | ROCK1CLK2DYRK1ACLK4DYRK3 | |
| SCHEMBL24934121 | 0.81 | ROCK1 (0.51) | ROCK1CLK2DYRK1ACLK4DYRK3 | |
| SCHEMBL30162919 | 0.79 | JAK2 (0.49) | ROCK1CLK2DYRK1ACLK4DYRK3 | |
| SCHEMBL29218248 | 0.79 | JAK2 (0.49) | ROCK1CLK2DYRK1ACLK4DYRK3 | |
| Trifluoroacetic Acid SCHEMBL19900583 | 0.78 | ROCK2 (0.54) | ROCK1CLK2DYRK1ACLK4DYRK3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118055926-A | ROCK2 inhibitors and uses thereof | 哈佛大学的校长及成员们 | 2024-05-17 | — | — | CN | disclosed |
| WO-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |