Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | USP2 | O75604 | 1/20 | 0.68 |
| ▸ | POLB | P06746 | 1/20 | 0.68 |
| ▸ | PPARG | P37231 | 1/20 | 0.68 |
| ▸ | BLM | P54132 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.68 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.68 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.44 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.42 |
| ▸ | APLNR | P35414 | 1/20 | 0.42 |
| ▸ | FPR2 | P25090 | 3/20 | 0.41 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL3844083 | 0.93 | MEN1 (0.67) | MEN1USP2POLBPPARGBLM | |
| Water SCHEMBL185914 | 0.90 | MEN1 (0.76) | MEN1USP2POLBPPARGBLM | |
| SCHEMBL5712581 | 0.89 | MEN1 (0.77) | MEN1USP2POLBPPARGBLM | |
| SCHEMBL17267894 | 0.89 | MEN1 (0.76) | MEN1USP2POLBPPARGBLM | |
| SCHEMBL29569925 | 0.89 | MEN1 (0.79) | MEN1USP2POLBPPARGBLM | |
| Water SCHEMBL3840702 | 0.88 | MEN1 (0.73) | MEN1USP2POLBPPARGBLM | |
| SCHEMBL19661354 | 0.88 | MEN1 (0.75) | MEN1USP2POLBPPARGBLM | |
| Water SCHEMBL7715723 | 0.88 | MEN1 (0.75) | MEN1USP2POLBPPARGBLM | |
| SCHEMBL16023556 | 0.87 | MEN1 (0.74) | MEN1USP2POLBPPARGBLM | |
| SCHEMBL1083748 | 0.87 | MEN1 (0.74) | MEN1USP2POLBPPARGBLM |
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-1702611-B1 | Composition for dyeing keratinuous fibres comprising a direct sulfonamidoxanthenyl dye and dyeing process | OREAL (FR) | 2009-11-11 | — | — | EP | claimed |
| US-7367994-B2 | Composition for dyeing keratin fibers, comprising a sulfonamidoxanthene direct dye, and dyeing process using the same | L'ORéAL S.A. (FR) | 2008-05-06 | — | — | US | claimed |
| EP-1702611-A2 | Composition for dyeing keratinuous fibres comprising a direct sulfonamidoxanthenyl dye and dyeing process | L'OREAL (FR) | 2006-09-20 | — | — | EP | claimed |