Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 13/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 12/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 6/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 15/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | KMO | O15229 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL29904766 | 0.83 | CYP1A2 (0.60) | CYP3A4CYP2C19CYP2D6ALOX15HSD17B10 | |
| SCHEMBL7011881 | 0.83 | CYP1A2 (0.60) | CYP3A4CYP2C19CYP2D6ALOX15HSD17B10 | |
| SCHEMBL28899688 | 0.81 | SCN9A (0.57) | CYP3A4CYP2C19CYP2D6ALOX15HSD17B10 | |
| SCHEMBL16731968 | 0.78 | ALDH1A1 (0.37) | CYP3A4CYP2C19CYP2D6ALOX15HSD17B10 | |
| SCHEMBL2404209 | 0.77 | CYP1A2 (0.46) | CYP3A4CYP2C19CYP2D6ALOX15HSD17B10 | |
| SCHEMBL28283387 | 0.77 | LATS1 (0.46) | CYP3A4CYP2C19CYP2D6ALOX15HSD17B10 | |
| SCHEMBL28205243 | 0.76 | CYP1A2 (0.53) | CYP3A4CYP2C19CYP2D6ALOX15HSD17B10 | |
| SCHEMBL197671 | 0.75 | HSD11B1 (0.56) | CYP3A4CYP2C19CYP2D6ALOX15HSD17B10 | |
| SCHEMBL29387955 | 0.74 | CYP3A4 (0.36) | CYP3A4CYP2C19CYP2D6ALOX15HSD17B10 | |
| SCHEMBL21352381 | 0.73 | CYP1A2 (0.43) | CYP3A4CYP2C19CYP2D6ALOX15HSD17B10 |
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 |