Known targets — ChEMBL curated mechanism
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 9/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 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 | |
|---|---|---|---|---|
| SCHEMBL5718453 | 0.99 | MAPT (0.44) | MAPTHTTLMNASMN1; SMN2MAPK1 | |
| SCHEMBL5718338 | 0.93 | MAPT (0.46) | MAPTHTTLMNASMN1; SMN2MAPK1 | |
| SCHEMBL5718219 | 0.90 | MAPT (0.39) | MAPTHTTLMNASMN1; SMN2MAPK1 | |
| SCHEMBL5718463 | 0.89 | MAPT (0.53) | MAPTHTTLMNASMN1; SMN2PKM | |
| SCHEMBL5718294 | 0.88 | BCL2 (0.41) | MAPTHTTLMNASMN1; SMN2MAPK1 | |
| SCHEMBL5718306 | 0.87 | KAT2B (0.46) | MAPTHTTLMNASMN1; SMN2MAPK1 | |
| SCHEMBL7664536 | 0.86 | ALDH1A1 (0.40) | MAPTHTTLMNASMN1; SMN2MAPK1 | |
| SCHEMBL5718267 | 0.85 | MAPT (0.38) | MAPTHTTLMNASMN1; SMN2MAPK1 | |
| SCHEMBL5718274 | 0.84 | CYP19A1 (0.36) | MAPTHTTLMNASMN1; SMN2MAPK1 | |
| SCHEMBL7666964 | 0.84 | ALDH1A1 (0.54) | MAPTHTTLMNASMN1; SMN2PKM |
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-1018333-B1 | Use of cationic monobenzene nitroanilines for dyeing keratin fibres , compositions and dyeing process | OREAL (FR) | 2006-03-01 | — | — | EP | claimed |
| US-6478827-B1 | Use of cationic monobenzene nitroanilines in the dyeing of keratinous fibers, dyeing compositions and dyeing processes | L'ORéAL S.A. (FR) | 2002-11-12 | — | — | US | claimed |
| US-6478827-B1 | Use of cationic monobenzene nitroanilines in the dyeing of keratinous fibers, dyeing compositions and dyeing processes | L'ORéAL S.A. (FR) | 2002-11-12 | — | — | US | disclosed |