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 | 0.87 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.81 |
| ▸ | TP53 | P04637 | 1/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.81 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.81 |
| ▸ | TSHR | P16473 | 1/20 | 0.81 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.81 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.81 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.81 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.81 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.80 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.72 |
| ▸ | APAF1 | O14727 | 1/20 | 0.60 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.60 |
| ▸ | RAD52 | P43351 | 1/20 | 0.60 |
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 SCHEMBL3485233 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Water SCHEMBL3485436 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Water SCHEMBL3485609 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrahexylammonium SCHEMBL5469443 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Water SCHEMBL3486043 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Water SCHEMBL875909 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Water SCHEMBL876408 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Water SCHEMBL3485321 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Water SCHEMBL3485231 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Water SCHEMBL3484873 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190015817-A1 | METHOD FOR FABRICATING A TITANIUM-CONTAINING SILICON OXIDE MATERIAL WITH HIGH THERMAL STABILITY AND APPLICATIONS OF THE SAME | ORIENTAL UNION CHEMICAL CORP. (TW) | 2019-01-17 | — | — | US | claimed |
| CN-108262030-A | Preparation method and application of titanium-containing silicon oxide material with high thermal stability | 东联化学股份有限公司 | 2018-07-10 | — | — | CN | claimed |
| US-20180147560-A1 | METHOD FOR FABRICATING A TITANIUM-CONTAINING SILICON OXIDE MATERIAL WITH HIGH THERMAL STABILITY AND APPLICATIONS OF THE SAME | ORIENTAL UNION CHEMICAL CORP. (TW) | 2018-05-31 | — | — | US | claimed |
| CN-100478393-C | Organosilicon modified carbonyl epoxy composite material | GUANGZHOU INST CHEMISTRY CAS (CN) | 2009-04-15 | — | — | CN | claimed |
| CN-1847309-A | Organosilicon modified carbonyl epoxy composite material | GUANGZHOU INST CHEMISTRY CAS (CN) | 2006-10-18 | — | — | CN | claimed |
| 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 |
| CN-107840345-B | A kind of application of the preparation method of silica zeolite, processing method and silica zeolite, catalyst and catalyst | 中国石油化工股份有限公司 | 2019-07-19 | — | — | CN | disclosed |
| CN-107840346-B | A kind of application of the preparation method of silica zeolite, processing method and silica zeolite, catalyst and catalyst | 中国石油化工股份有限公司 | 2019-07-19 | — | — | CN | disclosed |
| US-20190015817-A1 | METHOD FOR FABRICATING A TITANIUM-CONTAINING SILICON OXIDE MATERIAL WITH HIGH THERMAL STABILITY AND APPLICATIONS OF THE SAME | ORIENTAL UNION CHEMICAL CORP. (TW) | 2019-01-17 | — | — | US | disclosed |
| CN-108262030-A | Preparation method and application of titanium-containing silicon oxide material with high thermal stability | 东联化学股份有限公司 | 2018-07-10 | — | — | CN | disclosed |
| US-20180147560-A1 | METHOD FOR FABRICATING A TITANIUM-CONTAINING SILICON OXIDE MATERIAL WITH HIGH THERMAL STABILITY AND APPLICATIONS OF THE SAME | ORIENTAL UNION CHEMICAL CORP. (TW) | 2018-05-31 | — | — | US | disclosed |
| CN-107840345-A | A kind of application of the preparation method of silica zeolite, processing method and silica zeolite, catalyst and catalyst | 中国石油化工股份有限公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-107840344-A | A kind of HTS and its preparation method and application | 中国石油化工股份有限公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-107840346-A | A kind of application of the preparation method of silica zeolite, processing method and silica zeolite, catalyst and catalyst | 中国石油化工股份有限公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-100478393-C | Organosilicon modified carbonyl epoxy composite material | GUANGZHOU INST CHEMISTRY CAS (CN) | 2009-04-15 | — | — | CN | disclosed |
| CN-1847309-A | Organosilicon modified carbonyl epoxy composite material | GUANGZHOU INST CHEMISTRY CAS (CN) | 2006-10-18 | — | — | CN | disclosed |
| EP-0667366-B1 | Process for the production of aromatic polycarbonate | TEIJIN LTD (JP) | 2002-06-26 | — | — | EP | disclosed |
| US-5516878-A | CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD | TEIJIN LIMITED (JP) | 1996-05-14 | — | — | US | disclosed |
| EP-0667366-A2 | Process for the production of aromatic polycarbonate | TEIJIN LIMITED (JP) | 1995-08-16 | — | — | EP | disclosed |