Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | CASP1 | P29466 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 6/20 | 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 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28726059 | 0.91 | CASP1 (0.58) | TDP1ALDH1A1CASP1CYP3A4THRB | |
| SCHEMBL11430906 | 0.91 | TDP1 (0.58) | TDP1ALDH1A1CASP1CYP3A4THRB | |
| SCHEMBL30826546 | 0.89 | ALDH1A1 (0.54) | TDP1ALDH1A1CASP1CYP3A4THRB | |
| SCHEMBL30826545 | 0.89 | ALDH1A1 (0.54) | TDP1ALDH1A1CASP1CYP3A4THRB | |
| SCHEMBL9651411 | 0.89 | ALDH1A1 (0.54) | TDP1ALDH1A1CASP1CYP3A4THRB | |
| SCHEMBL17508325 | 0.88 | ALDH1A1 (0.53) | TDP1ALDH1A1CASP1CYP3A4THRB | |
| SCHEMBL18643912 | 0.88 | TDP1 (0.44) | TDP1ALDH1A1CASP1CYP3A4THRB | |
| SCHEMBL24011253 | 0.86 | RAD52 (0.57) | TDP1ALDH1A1CASP1CYP3A4THRB | |
| SCHEMBL20019377 | 0.86 | NPSR1 (0.60) | TDP1ALDH1A1CASP1CYP3A4THRB | |
| SCHEMBL17508186 | 0.86 | TDP1 (0.60) | TDP1ALDH1A1CASP1CYP3A4THRB |
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 |