Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.48 |
| ▸ | S100A4 | P26447 | 5/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | CDC25B | P30305 | 6/20 | 0.37 |
| ▸ | CDC25A | P30304 | 5/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | BLM | P54132 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7600057 | 0.82 | BACE1 (0.42) | BACE1S100A4PTPN1MAOAMAOB | |
| SCHEMBL7599782 | 0.82 | SOAT1 (0.46) | BACE1S100A4PTPN1CDC25AALDH1A1 | |
| SCHEMBL7598566 | 0.81 | SOAT1 (0.47) | BACE1S100A4PTPN1CDC25AALDH1A1 | |
| SCHEMBL7597649 | 0.81 | SOAT1 (0.47) | BACE1S100A4PTPN1CDC25AALDH1A1 | |
| SCHEMBL7601683 | 0.81 | MAPK1 (0.45) | BACE1PTPN1MAOAMAOBCDC25B | |
| SCHEMBL7602586 | 0.80 | BACE1 (0.49) | BACE1PTPN1CDC25BCYP1A2CYP2C9 | |
| SCHEMBL7599738 | 0.77 | BACE1 (0.51) | BACE1S100A4PTPN1MAOAMAOB | |
| SCHEMBL7600422 | 0.74 | BACE1 (0.44) | BACE1S100A4PTPN1MAOAMAOB | |
| SCHEMBL7600067 | 0.72 | BACE1 (0.56) | BACE1S100A4PTPN1MAOAMAOB | |
| SCHEMBL6555840 | 0.70 | BACE1 (0.75) | BACE1S100A4PTPN1MAOAMAOB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0861830-B1 | Use of 1,4-naphthoquinone and 1,4-dihydroxynaphthalene pyrrole derivatives for dyeing keratinous material, compounds and compositions containing them | OREAL (FR) | 2002-12-18 | — | — | EP | claimed |
| US-6022379-A | HAIR DYE | L'OREAL (FR) | 2000-02-08 | — | — | US | claimed |
| EP-0861830-B1 | Use of 1,4-naphthoquinone and 1,4-dihydroxynaphthalene pyrrole derivatives for dyeing keratinous material, compounds and compositions containing them | OREAL (FR) | 2002-12-18 | — | — | EP | disclosed |
| US-6022379-A | HAIR DYE | L'OREAL (FR) | 2000-02-08 | — | — | US | disclosed |
| EP-0861830-A1 | Use of 1,4-naphthoquinone and 1,4-dihydroxynaphthalene pyrrole derivatives for dyeing keratinous material, compounds and compositions containing them | L'OREAL (FR) | 1998-09-02 | — | — | EP | disclosed |