Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.37 |
| ▸ | WDR77 | Q9BQA1 | 3/20 | 0.37 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 4/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | ACACA | Q13085 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086039 | 0.90 | PRMT5 (0.39) | HDAC6ROCK2PRMT5WDR77METTL3 | |
| SCHEMBL19086147 | 0.89 | ROCK2 (0.37) | HDAC6ROCK2PRMT5WDR77METTL3 | |
| SCHEMBL19086038 | 0.89 | PRMT5 (0.39) | HDAC6ROCK2PRMT5WDR77METTL3 | |
| SCHEMBL19085981 | 0.89 | TRPV1 (0.41) | ROCK2PRMT5WDR77ROCK1 | |
| SCHEMBL19085999 | 0.89 | TRPV1 (0.41) | ROCK2PRMT5WDR77ROCK1 | |
| SCHEMBL19086163 | 0.88 | METTL3 (0.37) | HDAC6CYP3A4ROCK2PRMT5WDR77 | |
| SCHEMBL19086141 | 0.88 | ROCK2 (0.44) | HDAC6CYP3A4ROCK2PRMT5WDR77 | |
| SCHEMBL19086020 | 0.88 | ROCK2 (0.44) | HDAC6CYP3A4ROCK2PRMT5WDR77 | |
| SCHEMBL19085977 | 0.87 | NPC1 (0.45) | HDAC6ROCK2PRMT5WDR77NAMPT | |
| SCHEMBL19086047 | 0.87 | ROCK2 (0.44) | HDAC6CYP3A4ROCK2ROCK1 |
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 |