Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3736965 | 0.89 | CYP2C9 (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL3736958 | 0.89 | CYP2C9 (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL3736960 | 0.89 | CYP2C9 (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL20307886 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL12047423 | 0.77 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL20307892 | 0.77 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL6006538 | 0.76 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL25991088 | 0.73 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL5523449 | 0.72 | CYP1A2 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL19314085 | 0.71 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A |
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-117603248-A | Alkynyl-containing aromatic amine compound and preparation method thereof | 西南医科大学 | 2024-02-27 | — | — | CN | disclosed |