Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | S100B | P04271 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | ATAD2 | Q6PL18 | 2/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18393155 | 0.87 | DRD3 (0.48) | ALDH1A1DRD3KDM4EL3MBTL1MAP4K4 | |
| SCHEMBL18570642 | 0.86 | ALDH1A1 (0.45) | ALDH1A1DRD3CYP3A4TDP1THRB | |
| SCHEMBL6376391 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TDP1THRBALOX15 | |
| SCHEMBL2933227 | 0.86 | ALDH1A1 (0.58) | ALDH1A1CYP3A4TDP1THRBALOX15 | |
| SCHEMBL18570563 | 0.85 | ALDH1A1 (0.44) | ALDH1A1DRD3CYP3A4TDP1THRB | |
| Hydrochloric Acid SCHEMBL4952474 | 0.84 | ALDH1A1 (0.51) | ALDH1A1CYP3A4TDP1THRBALOX15 | |
| SCHEMBL6369975 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TDP1THRBALOX15 | |
| SCHEMBL6369929 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TDP1THRBALOX15 | |
| SCHEMBL14419461 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TDP1THRBALOX15 | |
| SCHEMBL4858416 | 0.83 | ALDH1A1 (0.65) | ALDH1A1CYP3A4TDP1THRBALOX15 |
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-2734179-B1 | NOVEL OXIDATION DYE PRECURSORS | HENKEL AG & CO KGAA (DE) | 2017-03-01 | — | — | EP | disclosed |