Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.43 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | CD44 | P16070 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL164361 | 0.97 | TSHR (0.45) | TSHRACHEGABRA1GABRB2CASR | |
| SCHEMBL29581427 | 0.97 | TSHR (0.45) | TSHRACHEGABRA1GABRB2CASR | |
| Methyl Alcohol SCHEMBL5165690 | 0.95 | GABRA1 (0.43) | TSHRACHEGABRA1GABRB2CASR | |
| Iodide SCHEMBL1502892 | 0.95 | TSHR (0.43) | TSHRACHEGABRA1GABRB2CASR | |
| Bromide SCHEMBL21460045 | 0.95 | TSHR (0.43) | TSHRACHEGABRA1GABRB2CASR | |
| Hydrochloric Acid SCHEMBL23886258 | 0.95 | TDP1 (0.44) | TSHRACHEGABRA1GABRB2CASR | |
| Fluoride SCHEMBL1502827 | 0.95 | TSHR (0.43) | TSHRACHEGABRA1GABRB2CASR | |
| Bromide SCHEMBL622796 | 0.95 | TSHR (0.43) | TSHRACHEGABRA1GABRB2CASR | |
| Ammonia Solution, Strong SCHEMBL5145133 | 0.95 | TSHR (0.43) | TSHRACHEGABRA1GABRB2CASR | |
| Hydrochloric Acid SCHEMBL136350 | 0.95 | TDP1 (0.44) | TSHRACHEGABRA1GABRB2CASR |
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 3405 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 |
|---|---|---|---|---|---|---|---|
| EP-4605578-A2 | ELECTROCATALYTIC GENERATION OF IMINES FROM ALCOHOLS AND AMINES | Université Paris Cité (FR) | 2025-08-27 | — | — | EP | claimed |
| WO-2025102202-A1 | POLYISOCYANATE COMPOSITION, AND COATING LAYER HAVING IMPROVED CHEMICAL RESISTANCE | 万华化学集团股份有限公司 | 2025-05-22 | — | — | WO | claimed |
| CN-119978314-A | Polyisocyanate composition and coating with improved chemical resistance | 万华化学集团股份有限公司 | 2025-05-13 | — | — | CN | claimed |
| CN-119798515-A | Hydrogel-based super stretch-proof flexible multifunctional input device and preparation and application thereof | 北京大学 | 2025-04-11 | — | — | CN | claimed |
| CN-114685378-B | Preparation method of 4, 6-dihydroxypyrimidine | 南通泰禾化工股份有限公司 | 2025-03-04 | — | — | CN | claimed |
| CN-119144236-A | Polishing solution and preparation method thereof | 江苏山水半导体科技有限公司 | 2024-12-17 | — | — | CN | claimed |
| EP-4470056-A1 | NOVEL AQUEOUS-PHASE REDOX FLOW BATTERIES | Kemiwatt (FR) | 2024-12-04 | — | — | EP | claimed |
| CN-118493978-B | Waterproof breathable polyester fiber fabric and production process thereof | 安徽金弘润新材料科技有限公司 | 2024-09-10 | — | — | CN | claimed |
| CN-118493978-A | Waterproof breathable polyester fiber fabric and production process thereof | 安徽金弘润新材料科技有限公司 | 2024-08-16 | — | — | CN | claimed |
| CN-117700710-B | Phosphorus-containing polycarbonate resin and preparation method and application thereof | 拓烯科技(衢州)有限公司 | 2024-08-09 | — | — | CN | claimed |
| EP-0524501-B1 | A process for the production of polyisocyanates containing allophanate and isocyanurate groups | BAYER AG (US) | 1996-10-30 | — | — | EP | claimed |
| US-5162452-A | Coatings | WACKER-CHEMIE GMBH (DE) | 1992-11-10 | — | — | US | claimed |
| US-4730049-A | Process for preparing 5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno (3,2-C)pyridine | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1988-03-08 | — | — | US | claimed |
| US-4726835-A | Herbicidal and plant growth regulating imidazoline derivatives | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1988-02-23 | — | — | US | claimed |
| US-4584410-A | HYDROXIDE OR OXIDE OF ALKALI OR ALKALINE METAL DECOMPOSES CONTAMIN | SUMITOMO CHEMICAL CO., LTD. (JP) | 1986-04-22 | — | — | US | claimed |
| US-4443590-A | ISOCYANATE COMPONENT HAVING OXADIAZINETRIONE RING, ACTIVE HYDROGEN COMPONENT, LEWIS BASE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1984-04-17 | — | — | US | claimed |
| US-4214057-A | Coating composition for plastic substrates | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1980-07-22 | — | — | US | claimed |
| US-4192820-A | Preparation of 3-methyl-2-buten-1-al | BASF AKTIENGESELLSCHAFT (DE) | 1980-03-11 | — | — | US | claimed |
| US-4163757-A | ACIDIC CLAY CATALYST | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1979-08-07 | — | — | US | claimed |
| US-4152340-A | BY REACTING 1,4,4A,5,8,8A,9A,10A-OCTAHYDRO-ANTHRAQUINONE WITH NITROBENZENE, BASIC COMPOUND, INHIBITOR | PRODUITS CHIMIQUES UGINE KUHLMANN (FR) | 1979-05-01 | — | — | US | claimed |