Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.71 |
| ▸ | RAB9A | P51151 | 6/20 | 0.71 |
| ▸ | JAK2 | O60674 | 2/20 | 0.71 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.64 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.62 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.56 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.56 |
| ▸ | CLK2 | P49760 | 2/20 | 0.56 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.56 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.56 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.56 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.56 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.56 |
| ▸ | JAK1 | P23458 | 1/20 | 0.54 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.53 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3380296 | 0.83 | NPC1 (1.00) | NPC1RAB9AJAK2ROCK2ROCK1 | |
| SCHEMBL10310329 | 0.79 | ROCK2 (0.63) | NPC1RAB9AJAK2ROCK2ROCK1 | |
| SCHEMBL9348553 | 0.79 | NPC1 (0.72) | NPC1RAB9AJAK2ROCK2ROCK1 | |
| SCHEMBL15147870 | 0.78 | ROCK2 (1.00) | NPC1RAB9AJAK2ROCK2ROCK1 | |
| SCHEMBL1163706 | 0.77 | ROCK2 (0.74) | NPC1RAB9AJAK2ROCK2ROCK1 | |
| SCHEMBL5818769 | 0.77 | NPC1 (1.00) | NPC1RAB9AJAK2ROCK2ROCK1 | |
| SCHEMBL20611859 | 0.77 | ROCK2 (0.64) | NPC1RAB9AJAK2ROCK2ROCK1 | |
| SCHEMBL5818774 | 0.76 | NPC1 (0.67) | NPC1RAB9AJAK2ROCK2ROCK1 | |
| SCHEMBL24690138 | 0.75 | ROCK2 (0.62) | NPC1RAB9AJAK2ROCK2ROCK1 | |
| SCHEMBL23332264 | 0.75 | NPC1 (0.56) | NPC1RAB9AALDH1A1MAPTHPGD |
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 |