Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 5/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 5/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.37 |
| ▸ | WNT3A | P56704 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19085981 | 0.90 | TRPV1 (0.41) | ROCK2ROCK1PRMT5WDR77HCRTR2 | |
| SCHEMBL19085999 | 0.90 | TRPV1 (0.41) | ROCK2ROCK1PRMT5WDR77HCRTR2 | |
| SCHEMBL19085993 | 0.90 | BTK (0.38) | ROCK2ROCK1PRMT5WDR77ALDH1A1 | |
| SCHEMBL19086004 | 0.90 | PRMT5 (0.39) | KDM1AROCK2ROCK1PRMT5WDR77 | |
| SCHEMBL19086144 | 0.89 | ROCK2 (0.35) | KDM1AROCK2ROCK1PRMT5WDR77 | |
| SCHEMBL19085985 | 0.89 | PRMT5 (0.40) | ROCK2ROCK1PRMT5WDR77GRIN2B | |
| SCHEMBL19085977 | 0.89 | NPC1 (0.45) | KDM1AROCK2ROCK1PRMT5WDR77 | |
| SCHEMBL19086145 | 0.88 | ROCK2 (0.36) | ROCK2ROCK1PRMT5WDR77ALDH1A1 | |
| SCHEMBL19085978 | 0.88 | ROCK2 (0.46) | ROCK2ROCK1PRMT5WDR77NPC1 | |
| SCHEMBL19085982 | 0.88 | KDM4E (0.39) | KDM1AROCK2ROCK1PRMT5WDR77 |
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 |