Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.40 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.40 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19085999 | 0.92 | TRPV1 (0.41) | MAOBROCK2ROCK1MAOACLK2 | |
| SCHEMBL19085981 | 0.92 | TRPV1 (0.41) | MAOBROCK2ROCK1MAOACLK2 | |
| SCHEMBL19085978 | 0.92 | ROCK2 (0.46) | MAOBROCK2ROCK1MAOAMAP4K4 | |
| SCHEMBL19086255 | 0.88 | MEN1 (0.39) | MAOBROCK2ROCK1MAOANPC1 | |
| SCHEMBL19085977 | 0.88 | NPC1 (0.45) | MAOBROCK2ROCK1MAP4K4RPS6KB1 | |
| SCHEMBL19086178 | 0.87 | NPC1 (0.38) | MAOBROCK2ROCK1MAOAMAP4K4 | |
| SCHEMBL19086167 | 0.87 | METTL3 (0.37) | MAOBROCK2MAOANPC1RAB9A | |
| SCHEMBL19086252 | 0.86 | ROCK2 (0.37) | MAOBROCK2ROCK1MAOAPRKD3 | |
| SCHEMBL19086169 | 0.86 | METTL3 (0.37) | MAOBROCK2ROCK1MAOANPC1 | |
| SCHEMBL19085993 | 0.86 | BTK (0.38) | ROCK2ROCK1NPC1RAB9A |
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 |