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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 4/20 | 0.54 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11880850 | 0.98 | DNM1 (0.56) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL16395834 | 0.96 | DNM1 (0.54) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| SCHEMBL4953580 | 0.94 | DNM1 (0.56) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| SCHEMBL29506651 | 0.92 | SLC22A1 (0.56) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| SCHEMBL10138705 | 0.92 | SLC22A1 (0.56) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Tetrahexylammonium SCHEMBL27789106 | 0.92 | SLC22A1 (0.56) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| SCHEMBL11006731 | 0.89 | SLC22A1 (0.52) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Tetrylammonium SCHEMBL9710111 | 0.88 | EPHX2 (0.49) | DNM1EPHX2FAAH | |
| Tetrylammonium SCHEMBL10416293 | 0.88 | EPHX2 (0.49) | DNM1EPHX2FAAH | |
| Tetrylammonium SCHEMBL28851555 | 0.88 | EPHX2 (0.49) | DNM1EPHX2FAAH |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105658322-B | Clay/polymer blends as high pH or ionic liquid barriers | 艾莫考国际公司 | 2021-04-09 | — | — | CN | claimed |
| EP-3019271-A1 | CLAY/POLYMER BLEND AS HIGH PH OR IONIC LIQUID BARRIER | Amcol International Corporation (US) | 2016-05-18 | — | — | EP | claimed |
| WO-2015006746-A1 | CLAY/POLYMER BLEND AS HIGH PH OR IONIC LIQUID BARRIER | AMCOL INTERNATIONAL CORPORATION (US) | 2015-01-15 | — | — | WO | claimed |
| CN-105658322-B | Clay/polymer blends as high pH or ionic liquid barriers | 艾莫考国际公司 | 2021-04-09 | — | — | CN | disclosed |
| EP-3778523-A1 | CLAY/POLYMER BLEND AS HIGH PH OR IONIC LIQUID BARRIER | AMCOL INTERNATIONAL CORPORATION (US) | 2021-02-17 | — | — | EP | disclosed |
| US-9403974-B2 | Clay/polymer blend as high pH or ionic liquid barrier | AMCOL INTERNATIONAL CORPORATION (US) | 2016-08-02 | — | — | US | disclosed |
| EP-3019271-A1 | CLAY/POLYMER BLEND AS HIGH PH OR IONIC LIQUID BARRIER | Amcol International Corporation (US) | 2016-05-18 | — | — | EP | disclosed |
| WO-2015006746-A1 | CLAY/POLYMER BLEND AS HIGH PH OR IONIC LIQUID BARRIER | AMCOL INTERNATIONAL CORPORATION (US) | 2015-01-15 | — | — | WO | disclosed |
| EP-0445627-B1 | Silver halide photographic light-sensitive materials | FUJI PHOTO FILM CO LTD (JP) | 1996-09-11 | — | — | EP | disclosed |
| EP-0445627-A1 | Silver halide photographic light-sensitive materials | FUJI PHOTO FILM CO., LTD. (JP) | 1991-09-11 | — | — | EP | disclosed |
| US-4879204-A | HIGH CONTRAST | FUJI PHOTO FILM CO., LTD. (JP) | 1989-11-07 | — | — | US | disclosed |