Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR52 | Q9Y2T5 | 2/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 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 | |
|---|---|---|---|---|
| SCHEMBL25374145 | 1.00 | GPR52 (0.39) | GPR52NR3C2ROCK1ATG4BRAB9A | |
| SCHEMBL30402558 | 0.87 | ALDH1A1 (0.39) | ATG4BMAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL25373908 | 0.87 | ALDH1A1 (0.39) | ATG4BMAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30402574 | 0.84 | CSNK2A2 (0.40) | MAPTCYP1A2CYP2C9CYP2C19RPS6KB1 | |
| SCHEMBL25376248 | 0.84 | CSNK2A2 (0.40) | MAPTCYP1A2CYP2C9CYP2C19RPS6KB1 | |
| SCHEMBL24399633 | 0.81 | ROCK1 (0.45) | GPR52NR3C2ROCK1CYP1A2CYP3A4 | |
| SCHEMBL30402694 | 0.81 | ROCK1 (0.45) | GPR52NR3C2ROCK1CYP1A2CYP3A4 | |
| SCHEMBL25375892 | 0.78 | ALDH1A1 (0.41) | RAB9AMAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL25373892 | 0.78 | AR (0.43) | GPR52NR3C2CYP3A4 | |
| SCHEMBL30401021 | 0.78 | AR (0.43) | GPR52NR3C2CYP3A4 |
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-116096718-A | Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2023-05-09 | — | — | CN | disclosed |