Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 7/20 | 0.42 |
| ▸ | EGFR | P00533 | 5/20 | 0.42 |
| ▸ | FLT1 | P17948 | 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 | |
|---|---|---|---|---|
| SCHEMBL17508194 | 0.88 | TDP1 (0.54) | ALDH1A1TDP1CYP3A4THRBALOX15 | |
| SCHEMBL17508260 | 0.80 | RAPGEF4 (0.57) | ALDH1A1TDP1CYP3A4THRBALOX15 | |
| SCHEMBL17508259 | 0.80 | TDP1 (0.56) | ALDH1A1TDP1CYP3A4THRBALOX15 | |
| SCHEMBL11430906 | 0.80 | TDP1 (0.58) | ALDH1A1TDP1CYP3A4THRBALOX15 | |
| SCHEMBL28726059 | 0.80 | CASP1 (0.58) | ALDH1A1TDP1CYP3A4THRBALOX15 | |
| SCHEMBL30826546 | 0.78 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4THRBALOX15 | |
| SCHEMBL7555415 | 0.78 | HPGD (0.54) | ALDH1A1TDP1CYP3A4THRBALOX15 | |
| SCHEMBL30826545 | 0.78 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4THRBALOX15 | |
| SCHEMBL9651411 | 0.78 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4THRBALOX15 | |
| SCHEMBL17526998 | 0.78 | CASP1 (0.50) | ALDH1A1TDP1CYP3A4THRBALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016020112-A1 | OXIDATION DYE PRECURSOR | HENKEL AG & CO. KGAA (DE) | 2016-02-11 | — | — | WO | claimed |
| WO-2016020112-A1 | OXIDATION DYE PRECURSOR | HENKEL AG & CO. KGAA (DE) | 2016-02-11 | — | — | WO | disclosed |
| WO-2016020112-A1 | OXIDATION DYE PRECURSOR | HENKEL AG & CO. KGAA (DE) | 2016-02-11 | — | — | WO | disclosed |