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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.90 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.90 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.90 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.52 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
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 SCHEMBL6859264 | 1.00 | ALDH1A1 (0.90) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Water SCHEMBL27674361 | 0.97 | ALDH1A1 (0.85) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Ammonia Solution, Strong SCHEMBL27336160 | 0.97 | ALDH1A1 (0.85) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Water SCHEMBL11251666 | 0.97 | KDM4E (0.85) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Ammonia Solution, Strong SCHEMBL27549344 | 0.97 | ALDH1A1 (0.85) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Water SCHEMBL6841853 | 0.97 | ALDH1A1 (0.85) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Water SCHEMBL11243425 | 0.97 | KDM4E (0.85) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Water SCHEMBL6859263 | 0.97 | KDM4E (0.85) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| Hydrogen Sulfide SCHEMBL5998720 | 0.97 | ALDH1A1 (0.94) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 | |
| SCHEMBL1484108 | 0.97 | ALDH1A1 (0.94) | ALDH1A1KDM4ETDP1CHRNB2CHRNA4 |
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
Appears in 20918 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117623327-B | Ni modified micropore-mesoporous molecular sieve and preparation method and application thereof | 万华化学集团股份有限公司 | 2026-05-19 | — | — | CN | claimed |
| US-12630744-B2 | Polishing compositions and methods of use thereof | FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) | 2026-05-19 | — | — | US | claimed |
| CN-122037136-A | Preparation method of polyisocyanate curing agent | 万华化学集团股份有限公司 | 2026-05-15 | — | — | CN | claimed |
| US-12624286-B2 | Etching composition, etching method, method for manufacturing semiconductor device, and method for manufacturing gate-all-around-type transistor | MITSUBISHI CHEMICAL CORPORATION (JP) | 2026-05-12 | — | — | US | claimed |
| EP-4735495-A1 | METHOD FOR PREPARING ISOCYANURATE-GROUP-CONTAINING POLYISOCYANATES | Covestro Deutschland AG (DE) | 2026-05-06 | — | — | EP | claimed |
| US-20260092924-A1 | NON-ENZYMATIC GLOW ASSAYS | UNIVERSITY OF HOUSTON SYSTEM (US) | 2026-04-02 | — | — | US | claimed |
| EP-4197971-B1 | SCM-34 MOLECULAR SIEVE, PREPARATION METHOD THEREFOR AND USE THEREOF | CHINA PETROLEUM & CHEM CORP (CN) | 2026-04-01 | — | — | EP | claimed |
| EP-3631045-B1 | CHEMICAL MECHANICAL POLISHING SLURRY FOR COBALT APPLICATIONS | FUJIFILM ELECTRONIC MAT USA INC (US) | 2026-02-18 | — | — | EP | claimed |
| US-20260042976-A1 | COMPOSITIONS AND METHODS OF USE THEREOF | FUJIFILM ELECTRONIC MAT USA INC (US) | 2026-02-12 | — | — | US | claimed |
| EP-4688987-A1 | POLISHING COMPOSITIONS AND METHODS OF USE THEREOF | FUJIFILM Electronic Materials U.S.A, Inc. (US) | 2026-02-11 | — | — | EP | claimed |
| US-4112065-A | Compositions of bis(ortho-substituted phenyl)carbodiimides and quaternary ammonium salts and their use thereof in combatting ectoparasitic tick infestations of animals | BAYER AKTIENGESELLSCHAFT (GE) | 1978-09-05 | — | — | US | claimed |
| US-4092306-A | Oxidation of hydrazones to the corresponding diazo compounds in the presence of a phase transfer and an oxidation catalyst which is iodine, an iodide or an iodonium salt | GLAXO LABORATORIES LIMITED (EN) | 1978-05-30 | — | — | US | claimed |
| US-4070224-A | POLYURETHANES | ALLIED RESIN CORPORATION (US) | 1978-01-24 | — | — | US | claimed |
| US-4067905-A | Preparation of 2-amino-n-butanol | SOCIETE CHIMIQUE DE LA GRANDE PAROISSE, AZOTE ET PRODUITS CHIMIQUES (FR) | 1978-01-10 | — | — | US | claimed |
| US-4036588-A | Method of increasing the water absorption of cellulose-containing materials | RESEARCH CORPORATION (US) | 1977-07-19 | — | — | US | claimed |
| US-4032578-A | HEXADECYL ALCOHOL, BASIC CATALYSTS | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1977-06-28 | — | — | US | claimed |
| US-3962191-A | LINEAR ISOCYANURATE POLYESTERS AND PROCESSES FOR PREPARING SAME | ARMSTRONG CORK COMPANY (US) | 1976-06-08 | — | — | US | claimed |
| US-3956168-A | QUATERNARY AMMONIUM COMPOUND | DAINIPPON INK AND CHEMICALS, INCORPORATED (JA) | 1976-05-11 | — | — | US | claimed |
| US-3950346-A | ANALGESICS, PAIN RELIEF | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1976-04-13 | — | — | US | claimed |
| US-3941846-A | Preparation of nitrocarbonyl compounds | TEXACO INC. (US) | 1976-03-02 | — | — | US | claimed |