Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 2/20 | 0.40 |
| ▸ | DDR1 | Q08345 | 6/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 3/20 | 0.37 |
| ▸ | ACACA | Q13085 | 2/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086180 | 0.91 | METTL3 (0.35) | DDR1ROCK2METTL3ACACBACACA | |
| SCHEMBL19086049 | 0.88 | ROCK2 (0.43) | ROCK2METTL3MAPK14PRMT5WDR77 | |
| SCHEMBL19086147 | 0.87 | ROCK2 (0.37) | ROCK2METTL3ACACBACACAPRMT5 | |
| SCHEMBL19086160 | 0.87 | HDAC6 (0.38) | ROCK2METTL3ACACBACACANAMPT | |
| SCHEMBL19086054 | 0.87 | ROCK2 (0.41) | ROCK2METTL3ACACBMAPK14PRMT5 | |
| SCHEMBL19086163 | 0.86 | METTL3 (0.37) | ROCK2METTL3ACACBACACAPRMT5 | |
| SCHEMBL19086018 | 0.86 | ROCK2 (0.44) | ROCK2METTL3MAPK14NAMPT | |
| SCHEMBL19086167 | 0.85 | METTL3 (0.37) | ROCK2METTL3MAPK14BTKLRRK2 | |
| SCHEMBL19085999 | 0.85 | TRPV1 (0.41) | SMODDR1ROCK2PRMT5WDR77 | |
| SCHEMBL19086039 | 0.85 | PRMT5 (0.39) | ROCK2METTL3PRMT5WDR77 |
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 |