Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 3/20 | 0.72 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 5/20 | 0.48 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4402755 | 0.81 | PDK1 (0.49) | PDK1NPC1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL618279 | 0.81 | PDK1 (0.49) | PDK1NPC1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16415404 | 0.81 | PDK1 (0.49) | PDK1NPC1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29877195 | 0.81 | ALDH1A1 (0.54) | PDK1HRH3DRD4ALDH1A1 | |
| SCHEMBL15284960 | 0.79 | PDK1 (0.55) | PDK1HRH3DRD4 | |
| SCHEMBL24933231 | 0.79 | PDK1 (0.57) | PDK1HRH3LMNADRD4ALDH1A1 | |
| SCHEMBL3187777 | 0.78 | HRH3 (0.63) | PDK1HRH3DRD4 | |
| SCHEMBL3187766 | 0.78 | HRH3 (0.63) | PDK1HRH3DRD4 | |
| Hydrochloric Acid SCHEMBL25394018 | 0.77 | HRH3 (0.62) | PDK1HRH3DRD4 | |
| Hydrochloric Acid SCHEMBL25394023 | 0.77 | HRH3 (0.62) | PDK1HRH3DRD4 |
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-115109032-B | Quinoline derivative and application thereof in medicine | 成都百裕制药股份有限公司 | 2023-09-05 | — | — | CN | disclosed |