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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 5/20 | 0.94 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.72 |
| ▸ | TP53 | P04637 | 1/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.72 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.72 |
| ▸ | TSHR | P16473 | 1/20 | 0.72 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.72 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.72 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.71 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | 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 SCHEMBL5427605 | 1.00 | DNM1 (0.94) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL5419812 | 1.00 | DNM1 (0.94) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL3485493 | 1.00 | DNM1 (0.94) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL875759 | 1.00 | DNM1 (0.94) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL5427521 | 1.00 | DNM1 (0.94) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL11137195 | 1.00 | DNM1 (0.94) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL1765130 | 1.00 | DNM1 (0.94) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| SCHEMBL332945 | 0.97 | DNM1 (1.00) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| SCHEMBL640740 | 0.97 | DNM1 (1.00) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| SCHEMBL332106 | 0.97 | DNM1 (1.00) | DNM1SLC22A1ALDH1A1TP53CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107840344-B | Titanium-silicon molecular sieve and preparation method and application thereof | 中国石油化工股份有限公司 | 2020-08-18 | — | — | CN | disclosed |
| CN-107840347-B | Titanium-silicon molecular sieve and preparation method and application thereof | 中国石油化工股份有限公司 | 2020-08-18 | — | — | CN | disclosed |
| 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 |