Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10046785 | 0.78 | CYP3A4 (0.40) | ALDH1A1CYP3A4TDP1ALOX15THRB | |
| SCHEMBL15315668 | 0.75 | TSHR (0.41) | ALDH1A1CYP3A4TDP1ALOX15THRB | |
| SCHEMBL15315667 | 0.74 | ALDH1A1 (0.37) | ALDH1A1CYP3A4TDP1ALOX15THRB | |
| SCHEMBL15020225 | 0.73 | CYP3A4 (0.41) | ALDH1A1CYP3A4TDP1ALOX15THRB | |
| SCHEMBL15039680 | 0.73 | CYP3A4 (0.41) | ALDH1A1CYP3A4TDP1ALOX15THRB | |
| SCHEMBL15020227 | 0.73 | CYP3A4 (0.41) | ALDH1A1CYP3A4TDP1ALOX15THRB | |
| SCHEMBL11511767 | 0.72 | CYP3A4 (0.77) | ALDH1A1CYP3A4TDP1ALOX15THRB | |
| SCHEMBL17745047 | 0.70 | ALDH1A1 (0.42) | ALDH1A1CYP3A4TDP1ALOX15THRB | |
| SCHEMBL15039275 | 0.70 | ALDH1A1 (0.42) | ALDH1A1CYP3A4TDP1ALOX15THRB | |
| SCHEMBL29709 | 0.69 | CYP3A4 (0.71) | ALDH1A1CYP3A4TDP1ALOX15THRB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012084817-A2 | DYE COMPOSITION COMPRISING BENZYL ALCOHOL, A MONOALCOHOL AND A PARTICULAR DIRECT DYE | L'OREAL (FR) | 2012-06-28 | — | — | WO | disclosed |