Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 4/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 5/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086230 | 0.86 | MAOB (0.44) | MAOBROCK2MAP4K4RPS6KB1CLK2 | |
| SCHEMBL19086178 | 0.85 | NPC1 (0.38) | NPC1RAB9AMAOBROCK2DYRK3 | |
| SCHEMBL19086026 | 0.84 | METTL3 (0.44) | KDM1AHDAC6MAOBROCK2ROCK1 | |
| SCHEMBL19086259 | 0.83 | METTL3 (0.42) | KDM1AHDAC6MAOBROCK2METTL3 | |
| SCHEMBL19086208 | 0.82 | KDM1A (0.44) | KDM1AHDAC6RAB9AMAOBL3MBTL1 | |
| SCHEMBL19086351 | 0.82 | MAOB (0.44) | KDM1AHDAC6MAOBROCK2METTL3 | |
| SCHEMBL19086024 | 0.81 | MAOB (0.43) | KDM1AHDAC6MAOBROCK2ROCK1 | |
| SCHEMBL19086209 | 0.80 | ROCK2 (0.43) | KDM1AHDAC6MAOBROCK2ROCK1 | |
| SCHEMBL19086995 | 0.80 | ROCK2 (0.47) | KDM1AHDAC6NPC1RAB9AMAOB | |
| SCHEMBL19086214 | 0.80 | METTL3 (0.48) | MAOBROCK2ROCK1L3MBTL1METTL3 |
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 |