Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | STAT6 | P42226 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | S100A4 | P26447 | 2/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26987104 | 0.88 | ALDH1A1 (0.46) | ALDH1A1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29712094 | 0.72 | MAPT (0.60) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30362624 | 0.69 | ALDH1A1 (0.71) | ALDH1A1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28995691 | 0.67 | ALDH1A1 (0.49) | ALDH1A1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29556724 | 0.67 | MAPT (0.52) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9656405 | 0.66 | ALDH1A1 (0.47) | ALDH1A1MAPK1HSD17B10TDP1S100A4 | |
| Nitrophenolate SCHEMBL17844686 | 0.61 | GPR35 (0.52) | ALDH1A1TP53CYP3A4MAPK1CYP2C19 | |
| Nitrophenolate SCHEMBL30354038 | 0.61 | GPR35 (0.52) | ALDH1A1TP53CYP3A4MAPK1CYP2C19 | |
| SCHEMBL1287837 | 0.59 | ALDH1A1 (0.74) | ALDH1A1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30535903 | 0.59 | ALDH1A1 (0.74) | ALDH1A1TP53CYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3982907-A1 | KITS COMPRISING UNIT-DOSE ORAL CARE COMPOSITIONS | The Procter & Gamble Company (US) | 2022-04-20 | — | — | EP | disclosed |