Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 12/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 9/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.37 |
| ▸ | CLK2 | P49760 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL19085994 | 0.89 | ROCK2 (0.41) | ROCK2ROCK1MAPK1SMN1; SMN2 | |
| SCHEMBL19085978 | 0.84 | ROCK2 (0.46) | ROCK2ROCK1NPC1DYRK3MAP4K4 | |
| SCHEMBL19085995 | 0.82 | METTL3 (0.41) | ROCK2ROCK1SMN1; SMN2KMT2A | |
| SCHEMBL19085984 | 0.81 | ROCK2 (0.42) | ROCK2ROCK1HCRTR2SMN1; SMN2KMT2A | |
| SCHEMBL19086023 | 0.81 | NAMPT (0.38) | ROCK2ROCK1 | |
| SCHEMBL19085976 | 0.81 | DDR2 (0.46) | ROCK2ROCK1 | |
| SCHEMBL19085996 | 0.80 | ROCK2 (0.53) | ROCK2ROCK1MAPK1DYRK3MAP4K4 | |
| SCHEMBL19085977 | 0.80 | NPC1 (0.45) | ROCK2ROCK1MAPK1NPC1DYRK3 | |
| SCHEMBL19086004 | 0.80 | PRMT5 (0.39) | ROCK2ROCK1NPC1RAB9A | |
| SCHEMBL19086994 | 0.79 | MAOB (0.39) | ROCK2ROCK1 |
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-2017114275-A1 | COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME | 成都先导药物开发有限公司 | 2017-07-06 | — | — | WO | disclosed |