Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 9/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.55 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.55 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.55 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.55 |
| ▸ | CLK2 | P49760 | 2/20 | 0.55 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.55 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.55 |
| ▸ | PRKD2 | Q9BZL6 | 2/20 | 0.55 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.55 |
| ▸ | SGK2 | Q9HBY8 | 2/20 | 0.55 |
| ▸ | STK17A | Q9UEE5 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | JAK2 | O60674 | 2/20 | 0.53 |
| ▸ | JAK1 | P23458 | 1/20 | 0.53 |
| ▸ | CDC7 | O00311 | 1/20 | 0.52 |
| ▸ | PLK4 | O00444 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1457361 | 0.87 | ROCK2 (0.63) | ROCK2ROCK1PRKD3MAP4K4RPS6KB1 | |
| SCHEMBL29099865 | 0.87 | ROCK2 (0.55) | ROCK2ROCK1MAP4K4RPS6KB1CLK2 | |
| SCHEMBL29099846 | 0.87 | ROCK1 (0.64) | ROCK2ROCK1MAP4K4RPS6KB1CLK2 | |
| SCHEMBL29099871 | 0.85 | ROCK1 (0.69) | ROCK2ROCK1PRKD3MAP4K4RPS6KB1 | |
| SCHEMBL20661261 | 0.85 | ROCK2 (0.65) | ROCK2ROCK1PRKD3MAP4K4RPS6KB1 | |
| SCHEMBL12824530 | 0.84 | ROCK2 (0.67) | ROCK2ROCK1PRKD3MAP4K4RPS6KB1 | |
| SCHEMBL29099826 | 0.84 | NPC1 (0.66) | ROCK2ROCK1MAOBNPC1RAB9A | |
| SCHEMBL29099844 | 0.84 | MEN1 (0.60) | ROCK2ROCK1MAP4K4RPS6KB1CLK2 | |
| SCHEMBL29099840 | 0.83 | ROCK2 (0.53) | ROCK2ROCK1PRKD3MAP4K4RPS6KB1 | |
| SCHEMBL20661235 | 0.82 | ROCK2 (0.67) | ROCK2ROCK1PRKD3MAP4K4RPS6KB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116715634-A | Compound, pharmaceutical composition and application thereof in preparation of vasodilation drugs | 山东第一医科大学(山东省医学科学院) | 2023-09-08 | — | — | CN | disclosed |