Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.55 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18632015 | 1.00 | HRH3 (0.55) | HRH3DGAT1LTA4HCYP2D6CYP2C19 | |
| SCHEMBL9906434 | 0.99 | HRH3 (0.53) | HRH3DGAT1LTA4HCYP2D6CYP2C19 | |
| SCHEMBL17242530 | 0.96 | HRH3 (0.50) | HRH3DGAT1LTA4HCYP2D6CYP2C19 | |
| SCHEMBL17531642 | 0.94 | DGAT1 (0.48) | HRH3DGAT1LTA4HCYP2D6CYP2C19 | |
| SCHEMBL4111762 | 0.93 | DGAT1 (0.49) | HRH3DGAT1LTA4HCYP2D6CYP2C19 | |
| SCHEMBL30192619 | 0.91 | DGAT1 (0.47) | HRH3DGAT1ALDH1A1 | |
| SCHEMBL9906435 | 0.89 | DGAT1 (0.47) | HRH3DGAT1CYP2D6ALDH1A1KCNH2 | |
| SCHEMBL20844051 | 0.87 | DGAT1 (0.45) | HRH3DGAT1ALDH1A1KCNH2 | |
| SCHEMBL25358476 | 0.84 | HRH3 (0.46) | HRH3DGAT1CYP2D6KCNH2 | |
| SCHEMBL7879463 | 0.83 | DGAT1 (0.47) | DGAT1LTA4HKCNH2 |
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-110431139-B | Deuterated imidazo [4,5-c ] quinolin-2-one compounds and their use in treating cancer | 阿斯利康(瑞典)有限公司 | 2022-07-05 | — | — | CN | disclosed |