Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METTL3 | Q86U44 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 3/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
| ▸ | DDR1 | Q08345 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 3/20 | 0.34 |
| ▸ | ACACA | Q13085 | 2/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | LIPC | P11150 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL19086182 | 0.91 | SMO (0.40) | METTL3ACACBPIK3CADDR1ROCK2 | |
| SCHEMBL19086147 | 0.84 | ROCK2 (0.37) | METTL3ACACBROCK2ROCK1PRMT5 | |
| SCHEMBL19086160 | 0.84 | HDAC6 (0.38) | METTL3ACACBROCK2ROCK1PRMT5 | |
| SCHEMBL19086049 | 0.84 | ROCK2 (0.43) | METTL3ROCK2ROCK1PRMT5WDR77 | |
| SCHEMBL19086054 | 0.84 | ROCK2 (0.41) | METTL3ACACBROCK2ROCK1PRMT5 | |
| SCHEMBL19086163 | 0.83 | METTL3 (0.37) | METTL3ACACBROCK2ROCK1PRMT5 | |
| SCHEMBL19086020 | 0.83 | ROCK2 (0.44) | ROCK2ROCK1PRMT5WDR77AKT1 | |
| SCHEMBL19086141 | 0.83 | ROCK2 (0.44) | ROCK2ROCK1PRMT5WDR77AKT1 | |
| SCHEMBL19086018 | 0.83 | ROCK2 (0.44) | METTL3ROCK2ROCK1AKT1HDAC6 | |
| SCHEMBL19086167 | 0.82 | METTL3 (0.37) | METTL3ROCK2HDAC6 |
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 |