Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | FASN | P49327 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 4/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.35 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL19086156 | 0.94 | HDAC6 (0.41) | HDAC6AKT1ROCK2PIM1GSK3B | |
| SCHEMBL19086155 | 0.89 | HDAC6 (0.38) | HDAC6AKT1ROCK2PIM1GSK3B | |
| SCHEMBL19086161 | 0.88 | HDAC6 (0.41) | HDAC6AKT1ROCK2PIM1GSK3B | |
| SCHEMBL19086025 | 0.86 | ENPP2 (0.43) | HDAC6ROCK2CYP3A4PRMT5WDR77 | |
| SCHEMBL19086154 | 0.84 | F10 (0.43) | HDAC6ROCK2ROCK1CYP3A4PRMT5 | |
| SCHEMBL19086149 | 0.84 | ANPEP (0.40) | HDAC6AKT1ROCK2PIM1GSK3B | |
| SCHEMBL19086153 | 0.83 | KMT2A (0.49) | ROCK2ROCK1CYP3A4PRMT5WDR77 | |
| SCHEMBL19086054 | 0.83 | ROCK2 (0.41) | HDAC6AKT1ROCK2ROCK1CYP3A4 | |
| SCHEMBL19086162 | 0.82 | KMT2A (0.40) | HDAC6ROCK2PIM1GSK3BROCK1 | |
| SCHEMBL19086026 | 0.80 | METTL3 (0.44) | HDAC6ROCK2PIM1GSK3BROCK1 |
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 |