Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 3/20 | 0.33 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086145 | 0.88 | ROCK2 (0.36) | ROCK2ROCK1BTKPRMT5WDR77 | |
| SCHEMBL19085993 | 0.87 | BTK (0.38) | ROCK2ROCK1BTKPRMT5WDR77 | |
| SCHEMBL19085987 | 0.86 | KDM1A (0.41) | ROCK2ROCK1KDM1APRMT5WDR77 | |
| SCHEMBL19085999 | 0.84 | TRPV1 (0.41) | ROCK2ROCK1PRMT5WDR77DDR1 | |
| SCHEMBL19085981 | 0.84 | TRPV1 (0.41) | ROCK2ROCK1PRMT5WDR77DDR1 | |
| SCHEMBL19086144 | 0.84 | ROCK2 (0.35) | ROCK2ROCK1KDM1AHDAC6PRMT5 | |
| SCHEMBL19085989 | 0.83 | MAOB (0.41) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL19086004 | 0.83 | PRMT5 (0.39) | ROCK2ROCK1KDM1AHDAC6PRMT5 | |
| SCHEMBL19085978 | 0.83 | ROCK2 (0.46) | ROCK2ROCK1PRMT5WDR77 | |
| SCHEMBL19086141 | 0.82 | ROCK2 (0.44) | ROCK2ROCK1HDAC6PRMT5WDR77 |
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 |