Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.43 |
| ▸ | PRKG1 | Q13976 | 3/20 | 0.42 |
| ▸ | PRKACA | P17612 | 2/20 | 0.42 |
| ▸ | PRKACG | P22612 | 2/20 | 0.42 |
| ▸ | PRKACB | P22694 | 2/20 | 0.42 |
| ▸ | AKT1 | P31749 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.41 |
| ▸ | CLK1 | P49759 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29020185 | 0.96 | ROCK2 (0.47) | KCNT1ROCK2PRKG1PRKACAPRKACG | |
| SCHEMBL29020149 | 0.94 | MAPK1 (0.44) | KCNT1ROCK2PRKG1PRKACAPRKACG | |
| SCHEMBL29020210 | 0.93 | CLK1 (0.48) | KCNT1ROCK2PRKG1PRKACAPRKACG | |
| SCHEMBL29020227 | 0.91 | PDE2A (0.43) | KCNT1ROCK2PRKG1PRKACAPRKACG | |
| SCHEMBL29020203 | 0.91 | PHGDH (0.41) | ROCK2PRKG1PRKACAPRKACGPRKACB | |
| SCHEMBL29020173 | 0.89 | AHR (0.51) | ROCK2PRKG1PRKACAPRKACGPRKACB | |
| SCHEMBL29020127 | 0.85 | MAPK1 (0.49) | KCNT1ROCK2MAPK1CLK1ROCK1 | |
| SCHEMBL29961598 | 0.85 | MAPK1 (0.49) | KCNT1ROCK2MAPK1CLK1ROCK1 | |
| SCHEMBL29020122 | 0.85 | MAPK1 (0.49) | KCNT1ROCK2MAPK1CLK1ROCK1 | |
| SCHEMBL29020182 | 0.83 | CLK1 (0.49) | ROCK2MAPK1CLK1ROCK1CLK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115093400-A | AhR inhibitor and application and preparation method thereof | 重庆华森制药股份有限公司 | 2022-09-23 | — | — | CN | disclosed |