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.
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 SCHEMBL170751 | 1.00 | — | — | |
| Water SCHEMBL31740539 | 1.00 | — | — | |
| Water SCHEMBL1009565 | 1.00 | — | — | |
| Water SCHEMBL31373852 | 1.00 | — | — | |
| Water SCHEMBL220103 | 1.00 | — | — | |
| Water SCHEMBL35958 | 1.00 | — | — | |
| Water SCHEMBL8678864 | 1.00 | — | — | |
| Water SCHEMBL3793704 | 1.00 | — | — | |
| Water SCHEMBL15571 | 1.00 | — | — | |
| Water SCHEMBL10608348 | 0.87 | — | — |
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 7690 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 |
|---|---|---|---|---|---|---|---|
| US-12046774-B2 | Separators for electrochemical cells | LG ENERGY SOLUTION, LTD. (KR) | 2024-07-23 | — | — | US | claimed |
| CN-118344130-A | Preparation method of aluminum-magnesium-carbon castable containing modified micro-nano graphite sheets | 郑州大学 | 2024-07-16 | — | — | CN | claimed |
| CN-116020501-B | Hydrogenation catalyst and preparation method and application thereof | 中国石油化工股份有限公司 | 2024-07-12 | — | — | CN | claimed |
| CN-116020497-B | Composite carrier, hydrogenation catalyst, and preparation method and application thereof | 中国石油化工股份有限公司 | 2024-07-12 | — | — | CN | claimed |
| US-20240228812-A9 | RHEOLOGY MODIFIER COMPOSITIONS AND ARCHITECTURAL COATING COMPOSITIONS DERIVED THEREFROM | HERCULES LLC (US) | 2024-07-11 | — | — | US | claimed |
| CN-115304482-B | Preparation method of 4-chloro-2-methyl-ethyl butenoate | 万华化学集团股份有限公司 | 2024-06-25 | — | — | CN | claimed |
| CN-115058064-B | Method for treating insulating filler by using plasma and silane coupling agent | 拓迪化学(上海)股份有限公司 | 2024-06-04 | — | — | CN | claimed |
| CN-118063426-A | Catalytic method for ketalization reaction of glycerol and cyclohexanone | 中国石油化工股份有限公司 | 2024-05-24 | — | — | CN | claimed |
| CN-118059937-A | Heteroatom EWT structure molecular sieve, preparation method thereof and method for synthesizing tetramethylbenzene by alkylating pseudocumene with methanol | 中国石油化工股份有限公司 | 2024-05-24 | — | — | CN | claimed |
| CN-118005603-A | Catalytic method for ketalization reaction of glycerol and cyclohexanone | 中国石油化工股份有限公司 | 2024-05-10 | — | — | CN | claimed |
| US-4112046-A | Disintegration of silica-rich chromite | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-05 | — | — | US | claimed |
| US-4097630-A | POLYESTER OR POLYAMIDE FIBERS CONTAINING ZINC OXIDE, BONDING MATERIAL OF VINYLIDENE HOMO- AND COPOLYMER OATEX WITH ALUMINUM HYDROXIDE OR HYDRATED ALUMINA | ALLIED CHEMICAL CORPORATION (US) | 1978-06-27 | — | — | US | claimed |
| US-4086283-A | FROM M-CRESOL AND PROPYLENE WITH ALUMINA CATALYST AND AMMONIA, HYDRAZINE OR AMINE CATALYSTS | BAYER AKTIENGESELLSCHAFT (DT) | 1978-04-25 | — | — | US | claimed |
| US-4064298-A | ZINC BORATE, ORGANIC HALIDE | ALLIED CHEMICAL CORPORATION (US) | 1977-12-20 | — | — | US | claimed |
| US-4032393-A | CELLULOSIC CONSTRUCTION BOARDS | THE UPSON COMPANY (US) | 1977-06-28 | — | — | US | claimed |
| US-4012546-A | ANTIMONY OXIDE OR ZINC BORATE; ALUMINUM HYDROXIDE OR OXIDE AND A LATEX AS BONDING AGENT | ALLIED CHEMICAL CORPORATION (US) | 1977-03-15 | — | — | US | claimed |
| US-3997452-A | ALKALI METAL ALUMINATE, DIMETHYLFORMAMIDE, GLYCERINE | SHELL OIL COMPANY (US) | 1976-12-14 | — | — | US | claimed |
| US-3992558-A | Process of coating particles of less than 20 microns with a polymer coating | RAYCHEM CORPORATION (US) | 1976-11-16 | — | — | US | claimed |
| US-3985926-A | POLYESTER AND POLYAMIDE FIBERS INCORPORATED WITH A ZINC COMPOUND | ALLIED CHEMICAL CORPORATION (US) | 1976-10-12 | — | — | US | claimed |
| US-3953584-A | ALUMINUM CHLORIDE, ALUMINUM HYDROXIDE, HYDROCHLORIC ACID | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-04-27 | — | — | US | claimed |