Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 7/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.47 |
| ▸ | CLK2 | P49760 | 1/20 | 0.47 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL24933434 | 0.87 | ROCK2 (0.51) | ROCK1ROCK2NPC1RAB9AJAK2 | |
| SCHEMBL24933442 | 0.86 | NPC1 (0.49) | ROCK1ROCK2NPC1RAB9AJAK2 | |
| SCHEMBL29218234 | 0.84 | ROCK1 (0.51) | ROCK1ROCK2 | |
| SCHEMBL30163035 | 0.84 | ROCK1 (0.51) | ROCK1ROCK2 | |
| SCHEMBL24933427 | 0.84 | ROCK1 (0.64) | ROCK1ROCK2NPC1RAB9AJAK2 | |
| SCHEMBL24933440 | 0.83 | NPC1 (0.52) | ROCK1ROCK2NPC1RAB9AJAK2 | |
| SCHEMBL18056616 | 0.83 | ROCK1 (0.69) | ROCK1ROCK2 | |
| SCHEMBL30162921 | 0.81 | ROCK1 (0.51) | ROCK1ROCK2NPC1RAB9AJAK2 | |
| SCHEMBL24934337 | 0.81 | ROCK1 (0.51) | ROCK1ROCK2NPC1RAB9AJAK2 | |
| SCHEMBL29218240 | 0.80 | JAK2 (0.52) | ROCK1ROCK2NPC1RAB9AJAK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |