Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.46 |
| ▸ | AIMP2 | Q13155 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28723917 | 1.00 | DRD2 (0.56) | DRD2CA2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28723946 | 0.96 | CA2 (0.55) | DRD2CA2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28723925 | 0.85 | CA2 (0.57) | DRD2CA2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28938415 | 0.85 | CA2 (0.57) | DRD2CA2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28724511 | 0.84 | CA2 (0.56) | DRD2CA2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28724507 | 0.84 | CA2 (0.56) | DRD2CA2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9692477 | 0.83 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10916152 | 0.83 | MTNR1A (0.48) | DRD2CA2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19776284 | 0.81 | DRD2 (0.54) | DRD2CA2MTNR1AFFAR1ALOX5 | |
| SCHEMBL19776654 | 0.81 | DRD2 (0.54) | DRD2CA2MTNR1AFFAR1ALOX5 |
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-109689664-B | Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors | 百时美施贵宝公司 | 2022-04-15 | — | — | CN | disclosed |