Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.67 |
| ▸ | RECQL | P46063 | 4/20 | 0.67 |
| ▸ | THRB | P10828 | 3/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.67 |
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.67 |
| ▸ | TP53 | P04637 | 1/20 | 0.67 |
| ▸ | CASP1 | P29466 | 1/20 | 0.67 |
| ▸ | APP | P05067 | 6/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydroquinone SCHEMBL9788155 | 0.92 | ALDH1A1 (0.76) | ALDH1A1CYP3A4RECQLTHRBALOX15 | |
| Hydroquinone SCHEMBL29354253 | 0.92 | ALDH1A1 (0.76) | ALDH1A1CYP3A4RECQLTHRBALOX15 | |
| SCHEMBL84826 | 0.92 | — | — | |
| SCHEMBL4873547 | 0.92 | ALDH1A1 (0.76) | ALDH1A1CYP3A4RECQLTHRBALOX15 | |
| Hydrochloric Acid SCHEMBL8724196 | 0.89 | ALDH1A1 (0.73) | ALDH1A1CYP3A4RECQLTHRBALOX15 | |
| Bromide SCHEMBL3362685 | 0.89 | ALDH1A1 (0.73) | ALDH1A1CYP3A4RECQLTHRBALOX15 | |
| Hydrogen Sulfide SCHEMBL28104921 | 0.89 | ALDH1A1 (0.73) | ALDH1A1CYP3A4RECQLTHRBALOX15 | |
| SCHEMBL11344869 | 0.89 | ALDH1A1 (0.73) | ALDH1A1CYP3A4RECQLTHRBALOX15 | |
| Methane SCHEMBL28193938 | 0.89 | ALDH1A1 (0.73) | ALDH1A1CYP3A4RECQLTHRBALOX15 | |
| SCHEMBL11330710 | 0.89 | ALDH1A1 (0.73) | ALDH1A1CYP3A4RECQLTHRBALOX15 |
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-2010494-B1 | SPECIFIC MONOCATIONIC MONOCHROMOPHORIC COMPOUNDS OF HYDRAZONE TYPE COMPRISING A 2-, 4-PYRIDINIUM OR 2-, 4-QUINOLINIUM UNIT, SYNTHESIS THEREOF, DYE COMPOSITIONS CONTAINING THEM, AND METHOD FOR DYEING KERATIN FIBRES | OREAL (FR) | 2012-02-01 | — | — | EP | disclosed |