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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.86 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.86 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.75 |
| ▸ | TP53 | P04637 | 1/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.75 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.75 |
| ▸ | TSHR | P16473 | 1/20 | 0.75 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.75 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.75 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.75 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.75 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.67 |
| ▸ | APAF1 | O14727 | 1/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.55 |
| ▸ | RAD52 | P43351 | 1/20 | 0.55 |
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 SCHEMBL3485498 | 1.00 | SLC22A1 (0.86) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL766417 | 1.00 | SLC22A1 (0.86) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL3485332 | 1.00 | SLC22A1 (0.86) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL876408 | 0.97 | SLC22A1 (0.87) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL3486043 | 0.97 | SLC22A1 (0.87) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL875909 | 0.97 | SLC22A1 (0.87) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL3485233 | 0.97 | SLC22A1 (0.87) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL3485231 | 0.97 | SLC22A1 (0.87) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL3485321 | 0.97 | SLC22A1 (0.87) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrahexylammonium SCHEMBL5469443 | 0.97 | SLC22A1 (0.87) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-20100283133-A1 | FILM-FORMING COMPOSITION, INSULATING FILM WITH LOW DIELECTRIC CONSTANT, FORMATION METHOD THEREOF, AND SEMICONDUCTOR DEVICE | HAMADA YOSHITAKA | 2010-11-11 | — | — | US | disclosed |
| US-7786022-B2 | Method for forming insulating film with low dielectric constant | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2010-08-31 | — | — | US | disclosed |
| US-20080290521-A1 | FILM-FORMING COMPOSITION, INSULATING FILM WITH LOW DIELECTRIC CONSTANT, FORMATION METHOD THEREOF, AND SEMICONDUCTOR DEVICE | SHIN ETSU CHEMICAL CO., LTD. | 2008-11-27 | — | — | US | disclosed |