Water

Water

SCHEMBL188046

CC[N+](CC)(CC)c1ccccc1.[OH-]

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

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 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CHRNB4 P30926 4/20 0.40
CHRNA3 P32297 4/20 0.40
CHRNA7 P36544 4/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
TP53 P04637 1/20 0.39
ACHE P22303 3/20 0.35
TSHR P16473 1/20 0.35
OPRM1 P35372 1/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL124830 0.97 APOBEC3A (0.46) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
Ammonia Solution, Strong SCHEMBL27994206 0.95 APOBEC3A (0.40) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
Water SCHEMBL28032613 0.95 APOBEC3A (0.40) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL125419 0.94 APOBEC3A (0.43) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
Iodide SCHEMBL2353165 0.94 APOBEC3A (0.50) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
SCHEMBL27833063 0.94 APOBEC3A (0.43) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
Bromide SCHEMBL5088443 0.94 APOBEC3A (0.43) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
SCHEMBL9752206 0.94 APOBEC3A (0.43) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
Bromide SCHEMBL2708617 0.94 APOBEC3A (0.43) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7
Bromide SCHEMBL2708615 0.94 APOBEC3A (0.43) APOBEC3AAPOBEC3GCHRNB4CHRNA3CHRNA7

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 837 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119923173-B N-type doping method of organic semiconductor and application thereof 宁波天璇新材料科技有限公司 2025-06-10 CN claimed
CN-119923173-A N-type doping method of organic semiconductor and application thereof 宁波天璇新材料科技有限公司 2025-05-02 CN claimed
CN-119126507-A Photoresist stripping liquid, preparation method and application thereof 浙江奥首材料科技有限公司 2024-12-13 CN claimed
CN-116589921-B Silicon-rich anti-reflection coating resin material and preparation method thereof 宁波杭州湾新材料研究院 2024-12-03 CN claimed
US-20240230608-A9 SELECTIVE MONITORING OF BASE CHEMICALS ECI TECHNOLOGY, INC. (US) 2024-07-11 US claimed
US-20240133852-A1 SELECTIVE MONITORING OF BASE CHEMICALS ECI TECHNOLOGY, INC. (US) 2024-04-25 US claimed
CN-116589921-A Silicon-rich anti-reflection coating resin material and preparation method thereof 宁波杭州湾新材料研究院 2023-08-15 CN claimed
US-20230139786-A1 Method for obtaining low molecular weight heparins and low molecular weight heparins obtained therefrom LABORATORIOS FARMACEUTICOS ROVI, S.A. (ES) 2023-05-04 US claimed
WO-2022159273-A1 SELECTIVE MONITORING OF BASE CHEMICALS ECI TECHNOLOGY, INC. (US) 2022-07-28 WO claimed
EP-2844310-B1 SHAPE-MEMORY CROSS-LINKED POLYSACCHARIDES MEDICAL AND BIOTECHNOLOGICAL SERVICES SRL IN ABBREVIATED FORM M B S SRL (IT) 2017-09-06 EP claimed
US-7727718-B2 Reagents for storage and preparation of samples for DNA analysis MOLECULAR RESEARCH CENTER, INC. (US) 2010-06-01 US claimed
CN-100526286-C Method for synthesizing akarol fenisobromolate ZHEJIANG HEBEN PESTICIDE CHEMI (CN) 2009-08-12 CN claimed
CN-101311121-A Preparation of zirconia sol NISSAN CHEMICAL IND LTD (JP) 2008-11-26 CN claimed
EP-1994979-A1 Method for producing zirconia sol Nissan Chemical Industries, Ltd. (JP) 2008-11-26 EP claimed
CN-101143825-A Method for synthesizing akarol fenisobromolate ZHEJIANG HEBEN PESTICIDE CHEMI (CN) 2008-03-19 CN claimed
EP-1833983-A1 REAGENTS AND METHODS FOR STORAGE AND PROCESSING OF BIOLOGICAL SAMPLES FOR DNA ANALYSIS Molecular Research Center, Inc. (US) 2007-09-19 EP claimed
WO-2006073497-A1 REAGENTS AND METHODS FOR STORAGE AND PROCESSING OF BIOLOGICAL SAMPLES FOR DNA ANALYSIS MOLECULAR RESEARCH CENTER, INC. (US) 2006-07-13 WO claimed
US-20060147944-A1 Reagents and methods for storage and processing of biological samples for DNA analysis MOLECULAR RESEARCH CENTER, INC. 2006-07-06 US claimed
US-4339501-A Filter-coated phosphor TOKYO SHIBAURA DENKI KABUSHIKI KAISHA (JP) 1982-07-13 US claimed
US-4287229-A BY FORMING A FILM ON SAID PARTICLES FROM A SOLUTION CONTAINING SILICON DIOXIDE AND AN ORGANIC AMMONIUM HYDROXIDE TOKYO SHIBAURA DENKI KABUSHIKIKAISHA (JP) 1981-09-01 US claimed