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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 11/20 | 0.61 |
| ▸ | HPGD | P15428 | 4/20 | 0.61 |
| ▸ | THRB | P10828 | 2/20 | 0.57 |
| ▸ | RECQL | P46063 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29395167 | 0.99 | MAPT (0.62) | MAPTHPGDTHRBRECQLALDH1A1 | |
| SCHEMBL9226505 | 0.99 | MAPT (0.62) | MAPTHPGDTHRBRECQLALDH1A1 | |
| Water SCHEMBL303865 | 0.87 | MAPT (0.73) | MAPTHPGDTHRBRECQLALDH1A1 | |
| SCHEMBL8517706 | 0.86 | MAPT (0.77) | MAPTHPGDTHRBRECQLALDH1A1 | |
| SCHEMBL9156872 | 0.85 | MAPT (0.74) | MAPTHPGDTHRBRECQLALDH1A1 | |
| Betaine SCHEMBL11485783 | 0.85 | MAPT (0.49) | MAPTHPGDTHRBRECQLALDH1A1 | |
| Water SCHEMBL1046380 | 0.83 | HPGD (0.64) | MAPTHPGDTHRBRECQLALDH1A1 | |
| Water SCHEMBL1044054 | 0.82 | HSD17B10 (0.58) | MAPTHPGDTHRBRECQLALDH1A1 | |
| SCHEMBL5675161 | 0.81 | HPGD (0.66) | MAPTHPGDTHRBRECQLALDH1A1 | |
| SCHEMBL6366161 | 0.81 | MAPT (0.55) | MAPTHPGDTHRBRECQLALDH1A1 |
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-0192465-B1 | PHOTOGRAPHIC ELEMENTS CONTAINING CHALCOGENAZOLIUM POLYMETHINE DYES (CASE A) | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1989-04-19 | — | — | EP | disclosed |
| EP-0192461-A2 | Photographically useful chalcogenazolium polymethine dyes (case B) | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1986-08-27 | — | — | EP | disclosed |
| EP-0192465-A2 | Photographic elements containing chalcogenazolium polymethine dyes (case A) | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1986-08-27 | — | — | EP | disclosed |
| US-4576905-A | Photographically useful chalcogenazoles, chalcogenazolines, and chalcogenazolinium and chalcogenazolium salts | EASTMAN KODAK COMPANY (US) | 1986-03-18 | — | — | US | disclosed |
| US-4575483-A | FACILITATE IMAGE FORMATION | EASTMAN KODAK COMPANY (US) | 1986-03-11 | — | — | US | disclosed |