Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | BRD2 | P25440 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29101891 | 0.81 | GPR3 (0.43) | CYP1A2ALDH1A1GAAMAPTNPSR1 | |
| SCHEMBL29101899 | 0.76 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL29101889 | 0.76 | DHODH (0.37) | GAAMAPTNPSR1SMN1; SMN2BRD4 | |
| SCHEMBL29101885 | 0.76 | DHODH (0.39) | ALDH1A1MEN1KMT2A | |
| SCHEMBL29101877 | 0.73 | GSK3B (0.38) | CYP1A2ALDH1A1MAPTSMN1; SMN2MEN1 | |
| SCHEMBL29101893 | 0.72 | ALDH1A1 (0.39) | ALDH1A1MAPTNPSR1SMN1; SMN2BRD4 | |
| SCHEMBL29101901 | 0.72 | ENPP1 (0.39) | ALDH1A1GAAMAPTSMN1; SMN2MEN1 | |
| SCHEMBL30620496 | 0.72 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL12146201 | 0.71 | KDM4E (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL29101900 | 0.70 | CASP3 (0.44) | ALDH1A1GAAMAPTSMN1; SMN2MEN1 |
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-116789598-A | 3-alkenyl isoquinoline 2-oxide compound and preparation method thereof | 广州大学 | 2023-09-22 | — | — | CN | disclosed |