Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 7/20 | 0.47 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL14649871 | 0.83 | AR (0.49) | ARCDK8CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3839157 | 0.76 | ALDH1A1 (0.54) | MAOBEGFR | |
| SCHEMBL3838974 | 0.76 | ALDH1A1 (0.54) | MAOBEGFR | |
| SCHEMBL457828 | 0.76 | MAOB (0.54) | SLC6A4MAOBEGFR | |
| SCHEMBL29623526 | 0.76 | CYP1A2 (0.45) | ARCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9546439 | 0.76 | NPSR1 (0.53) | SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29603301 | 0.76 | NPSR1 (0.53) | SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2394719 | 0.75 | MAOB (0.59) | CDK8CYP1A2CYP2C9CYP2C19MAOB | |
| SCHEMBL29623441 | 0.75 | NPSR1 (0.56) | HTR2ASLC6A4KCNH2CYP1A2CYP3A4 | |
| SCHEMBL31360383 | 0.75 | CETP (0.43) | SLC6A4CYP1A2CYP3A4CYP2D6CYP2C9 |
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-109790149-B | Phenoxytriazoles | 豪夫迈·罗氏有限公司 | 2022-05-17 | — | — | CN | disclosed |