Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.36 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19085982 | 0.89 | KDM4E (0.39) | MAOBMAOAHCRTR2ROCK2ROCK1 | |
| SCHEMBL19086167 | 0.86 | METTL3 (0.37) | MAOBMAOAROCK2METTL3RAB9A | |
| SCHEMBL19086160 | 0.85 | HDAC6 (0.38) | ROCK2ROCK1METTL3PRMT5WDR77 | |
| SCHEMBL19085987 | 0.85 | KDM1A (0.41) | HCRTR2ROCK2ROCK1HCRTR1PRMT5 | |
| SCHEMBL19085981 | 0.85 | TRPV1 (0.41) | MAOBMAOAHCRTR2ROCK2ROCK1 | |
| SCHEMBL19085999 | 0.85 | TRPV1 (0.41) | MAOBMAOAHCRTR2ROCK2ROCK1 | |
| SCHEMBL19086256 | 0.85 | NPC1 (0.41) | MAOBMAOAROCK2ROCK1PRMT5 | |
| SCHEMBL19085993 | 0.84 | BTK (0.38) | ROCK2ROCK1METTL3PRMT5WDR77 | |
| SCHEMBL19086169 | 0.84 | METTL3 (0.37) | MAOBMAOAROCK2ROCK1METTL3 | |
| SCHEMBL19086004 | 0.84 | PRMT5 (0.39) | ROCK2ROCK1METTL3PRMT5WDR77 |
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 |