Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | ELANE | P08246 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7045432 | 0.88 | CYP3A4 (0.44) | ALDH1A1CYP3A4CYP1A2ELANEACHE | |
| SCHEMBL7043674 | 0.81 | MEN1 (0.43) | ALDH1A1ELANEACHEKDM4ELMNA | |
| SCHEMBL7047609 | 0.79 | KDM4E (0.46) | ALDH1A1ACHEKDM4ELMNAMAPT | |
| SCHEMBL7049260 | 0.71 | EGFR (0.41) | ALDH1A1CYP3A4CYP1A2KDM4ELMNA | |
| SCHEMBL23515574 | 0.70 | EGFR (0.39) | EGFR | |
| SCHEMBL7047198 | 0.70 | MEN1 (0.40) | ALDH1A1CYP3A4ELANEKDM4ELMNA | |
| SCHEMBL7047522 | 0.69 | MAPT (0.42) | ALDH1A1CYP3A4CYP1A2KDM4EMAPT | |
| SCHEMBL7043743 | 0.69 | MEN1 (0.36) | ALDH1A1KDM4ELMNAMAPTEGFR | |
| SCHEMBL7046850 | 0.69 | EPHX2 (0.40) | CYP3A4ACHEMAPTTDP1EGFR | |
| SCHEMBL21795579 | 0.68 | EGFR (0.35) | ALDH1A1KDM4ELMNAMAPTEGFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1300132-A2 | Agent for dyeing keratinous fibres | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-04-09 | — | — | EP | claimed |
| EP-1300132-A2 | Agent for dyeing keratinous fibres | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-04-09 | — | — | EP | disclosed |