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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | RAD52 | P43351 | 1/20 | 0.30 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 SCHEMBL4443342 | 0.96 | TSHR (0.40) | TSHRLMNATHRBANPEPALDH1A1 | |
| Hydrochloric Acid SCHEMBL98192 | 0.92 | TSHR (0.43) | TSHRLMNATHRBANPEPALDH1A1 | |
| Bromide SCHEMBL154033 | 0.92 | TSHR (0.43) | TSHRLMNATHRBANPEPALDH1A1 | |
| SCHEMBL15122 | 0.92 | TSHR (0.43) | TSHRLMNATHRBANPEPALDH1A1 | |
| Hydrogen Sulfide SCHEMBL9252049 | 0.92 | TSHR (0.43) | TSHRLMNATHRBANPEPALDH1A1 | |
| SCHEMBL6121770 | 0.92 | TSHR (0.43) | TSHRLMNATHRBANPEPALDH1A1 | |
| SCHEMBL152801 | 0.92 | TSHR (0.43) | TSHRLMNATHRBANPEPALDH1A1 | |
| Fluoride Ion SCHEMBL839652 | 0.92 | TSHR (0.43) | TSHRLMNATHRBANPEPALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL10884954 | 0.89 | TSHR (0.40) | TSHRLMNATHRBANPEPALDH1A1 | |
| Fluoride SCHEMBL10685050 | 0.89 | TSHR (0.40) | TSHRLMNATHRBANPEPALDH1A1 |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115304769-A | Degradable copolyester based on 4, 4-thiodiphenol, preparation method and application | 武汉科技大学 | 2022-11-08 | — | — | CN | claimed |
| CN-112142943-A | Polyurethane high-water-absorption sponge for mop and preparation method thereof | 宿迁嘉禾塑料金属制品有限公司 | 2020-12-29 | — | — | CN | claimed |
| CN-112142948-A | High-moisture-absorption antibacterial polyurethane foam material for insoles and preparation method thereof | 宿迁嘉禾塑料金属制品有限公司 | 2020-12-29 | — | — | CN | claimed |
| US-20040063848-A1 | Oligomeric dyes and preparation thereof | 3M INNOVATIVE PROPERTIES COMPANY | 2004-04-01 | — | — | US | claimed |
| CN-113376980-B | Titanium dioxide-free toner additive formulation with crosslinked organic polymer additive | 施乐公司 | 2023-12-05 | — | — | CN | disclosed |
| CN-115304769-B | Degradable copolyester based on 4, 4-thiodiphenol, preparation method and application | 浙江帕司迪客新材料有限公司 | 2023-11-03 | — | — | CN | disclosed |
| CN-113376982-A | Toner comprising toner additive formulation | 施乐公司 | 2021-09-10 | — | — | CN | disclosed |
| CN-113376980-A | Titania-free toner additive formulations with crosslinked organic polymer additives | 施乐公司 | 2021-09-10 | — | — | CN | disclosed |
| CN-110483750-B | Preparation method of full-biodegradable copolyester | 四川中科兴业高新材料有限公司 | 2021-07-09 | — | — | CN | disclosed |
| CN-112142948-A | High-moisture-absorption antibacterial polyurethane foam material for insoles and preparation method thereof | 宿迁嘉禾塑料金属制品有限公司 | 2020-12-29 | — | — | CN | disclosed |
| US-8551615-B2 | Pressure sensitive adhesive composition, product using the same, and display using the product | NITTO DENKO CORPORATION (JP) | 2013-10-08 | — | — | US | disclosed |
| EP-2169024-B1 | Pressure-sensitive adhesive sheet for optical member adhesion | NITTO DENKO CORP (JP) | 2013-08-28 | — | — | EP | disclosed |
| US-20010016241-A1 | Polyolefin bound ultraviolet light absorbers | 3M INNOVATIVE PROPERTIES COMPANY | 2001-08-23 | — | — | US | disclosed |
| US-6235375-B1 | HYDROXY FUNCTIONAL 2-(2*-HYDROXYPHENYL)BENZOTRIAZOLE OR DIPHENYLCYANOACRYLATE DERIVATIVE REACTED WITH CARBOXYL FUNCTIONAL OLIGOMER; RETROREFLECTIVE SHEETINGS | 3M INNOVATIVE PROPERTIES COMPANY | 2001-05-22 | — | — | US | disclosed |
| EP-0980395-A1 | BOUND ULTRAVIOLET LIGHT ABSORBERS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 2000-02-23 | — | — | EP | disclosed |
| US-6008302-A | Polyolefin bound ultraviolet light absorbers | 3M INNOVATIVE PROPERTIES COMPANY (US) | 1999-12-28 | — | — | US | disclosed |
| WO-1998049207-A1 | BOUND ULTRAVIOLET LIGHT ABSORBERS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1998-11-05 | — | — | WO | disclosed |
| EP-0776903-A1 | Improved sucrose-6-ester process | McNEIL-PPC, INC. (US) | 1997-06-04 | — | — | EP | disclosed |
| EP-0264834-A1 | Electrodeposition coating composition | Nippon Paint Co., Ltd. (JP) | 1988-04-27 | — | — | EP | disclosed |
| US-4281076-A | CURING AT LOW TEMPERATURE, COMPRISING A DIBASIC ACID, A BLOCKED ISOCYANATE AND A TIN COMPOUND | KANSAI PAINT COMPANY, LIMITED (JP) | 1981-07-28 | — | — | US | disclosed |