Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.70 |
| ▸ | ESR1 | P03372 | 5/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.53 |
| ▸ | AR | P10275 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| 4-Aminophenol SCHEMBL27512906 | 0.84 | ALDH1A1 (0.58) | PDE10AESR1ESR2ARCASP1 | |
| 4-Aminophenol SCHEMBL3775103 | 0.84 | PDE10A (0.83) | PDE10AESR1ESR2ARCASP1 | |
| SCHEMBL34069 | 0.84 | — | — | |
| SCHEMBL29357630 | 0.84 | — | — | |
| SCHEMBL4870452 | 0.84 | CYP3A4 (0.61) | ESR1ESR2ARTSHRALDH1A1 | |
| SCHEMBL33808 | 0.84 | — | — | |
| SCHEMBL4732895 | 0.82 | CYP3A4 (0.59) | ESR1ESR2ARTSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL29836028 | 0.82 | CYP3A4 (0.59) | ESR1ESR2ARTSHRALDH1A1 | |
| Bromide SCHEMBL4051270 | 0.82 | PDE10A (0.95) | PDE10AESR1ESR2ARCASP1 | |
| Bromide SCHEMBL11087469 | 0.82 | CYP3A4 (0.59) | ESR1ESR2ARTSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1776085-A1 | AGENT CONTAINING AN ALKALISATION AGENT FOR LIGHTENING AND/OR COLOURING KERATIN FIBRES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006018099-A1 | AGENT CONTAINING AN ALKALISATION AGENT FOR LIGHTENING AND/OR COLOURING KERATIN FIBRES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2006-02-23 | — | — | WO | disclosed |
| US-5279617-A | Using melanin precursor; oxidizing dopa compound with a ferricyanide salt | CLAIROL INCORPORATED (US) | 1994-01-18 | — | — | US | disclosed |