Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.51 |
| ▸ | THRB | P10828 | 2/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 8/20 | 0.38 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | GFER | P55789 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17506818 | 0.90 | ALDH1A1 (0.47) | CYP3A4TDP1ALDH1A1ALOX15THRB | |
| SCHEMBL17506815 | 0.84 | TDP1 (0.47) | CYP3A4TDP1ALDH1A1ALOX15THRB | |
| SCHEMBL17506797 | 0.80 | TDP1 (0.47) | CYP3A4TDP1ALDH1A1ALOX15THRB | |
| SCHEMBL17506811 | 0.80 | TDP1 (0.51) | CYP3A4TDP1ALDH1A1ALOX15THRB | |
| SCHEMBL11650891 | 0.80 | TDP1 (0.51) | CYP3A4TDP1ALDH1A1ALOX15THRB | |
| SCHEMBL17527023 | 0.79 | RAPGEF4 (0.54) | CYP3A4TDP1ALDH1A1ALOX15THRB | |
| SCHEMBL565079 | 0.78 | ALOX15 (0.54) | CYP3A4TDP1ALDH1A1ALOX15THRB | |
| Hydrochloric Acid SCHEMBL17506804 | 0.78 | RAPGEF4 (0.53) | CYP3A4TDP1ALDH1A1ALOX15THRB | |
| SCHEMBL17506810 | 0.77 | MAPT (0.44) | CYP3A4TDP1ALDH1A1ALOX15THRB | |
| SCHEMBL17506803 | 0.77 | ALOX15 (0.47) | CYP3A4TDP1ALDH1A1ALOX15THRB |
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-2016020110-A1 | OXY-, THIO- AND AZO- BIS-BENZENE TYPE OXIDATION DYE PRECURSORS | HENKEL AG & CO. KGAA (DE) | 2016-02-11 | — | — | WO | claimed |
| WO-2016020110-A1 | OXY-, THIO- AND AZO- BIS-BENZENE TYPE OXIDATION DYE PRECURSORS | HENKEL AG & CO. KGAA (DE) | 2016-02-11 | — | — | WO | disclosed |
| WO-2016020110-A1 | OXY-, THIO- AND AZO- BIS-BENZENE TYPE OXIDATION DYE PRECURSORS | HENKEL AG & CO. KGAA (DE) | 2016-02-11 | — | — | WO | disclosed |