Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 6/20 | 0.57 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17263695 | 0.84 | SCN9A (0.40) | SCN9ASCN10AGRM5CYP3A4CYP2D6 | |
| SCHEMBL21291475 | 0.83 | SCN9A (0.59) | SCN9ASCN10AGRM5CYP3A4CYP1A2 | |
| SCHEMBL17263721 | 0.83 | SCN9A (0.40) | SCN9ASCN10AGRM5CYP3A4CYP2D6 | |
| SCHEMBL28461573 | 0.81 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL13372658 | 0.80 | GRM5 (0.38) | GRM5CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL17263685 | 0.79 | SCN9A (0.36) | SCN9ASCN10ACYP3A4CYP2D6CYP2C19 | |
| SCHEMBL30146607 | 0.78 | SCN9A (0.59) | SCN9ASCN10AGRM5CYP3A4CYP2D6 | |
| SCHEMBL4559050 | 0.78 | SCN9A (0.56) | SCN9ASCN10AGRM5CYP3A4CYP2D6 | |
| SCHEMBL4761792 | 0.77 | CLK4 (0.42) | GRM5CLK4 | |
| SCHEMBL26369951 | 0.76 | SCN9A (0.51) | SCN9ASCN10ACYP3A4CYP1A2MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111675703-B | Method for constructing asymmetric 2,4, 6-trisubstituted 1,3,5-triazine compound by mixing aromatic aldehyde and ammonium iodide | 沅江华龙催化科技有限公司 | 2021-07-09 | — | — | CN | disclosed |
| CN-111675703-A | Method for constructing asymmetric 2,4, 6-trisubstituted 1,3,5-triazine compound by mixing aromatic aldehyde and ammonium iodide | 沅江华龙催化科技有限公司 | 2020-09-18 | — | — | CN | disclosed |