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 SCHEMBL28015653 | 1.00 | ALDH1A1 (0.52) | — | |
| Water SCHEMBL28117017 | 0.97 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL28079830 | 0.97 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL27905882 | 0.97 | ALDH1A1 (0.50) | — | |
| SCHEMBL3070371 | 0.97 | ALDH1A1 (0.55) | — | |
| SCHEMBL27796 | 0.97 | — | — | |
| SCHEMBL25232908 | 0.94 | — | — | |
| SCHEMBL15106933 | 0.94 | — | — | |
| SCHEMBL2047002 | 0.94 | — | — | |
| SCHEMBL21580547 | 0.94 | — | — |
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 5135 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-118302242-A | Purification of organic solvents | 陶氏环球技术有限责任公司 | 2024-07-05 | — | — | CN | claimed |
| CN-118281344-A | Nonaqueous electrolyte composition | 法拉典有限公司 | 2024-07-02 | — | — | CN | claimed |
| EP-4378928-A1 | NAPHTHALENE DITHIOL AND DERIVATIVE THEREOF, AND PRODUCTION METHODS AND USES FOR SAME | SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2024-06-05 | — | — | EP | claimed |
| CN-118055922-A | Naphthalene dithiol and its derivatives, and their preparation method and use | 菅井化学工业株式会社 | 2024-05-17 | — | — | CN | claimed |
| CN-117777455-B | Fluorine-containing polysiloxane, preparation method thereof, photoresist composition and application thereof | 山东同益光刻胶材料科技有限公司 | 2024-05-10 | — | — | CN | claimed |
| CN-111433960-B | Nonaqueous electrolyte composition | 法拉典有限公司 | 2024-04-16 | — | — | CN | claimed |
| US-11951758-B2 | Printing method and printed product | MIMAKI ENGINEERING CO., LTD. (JP) | 2024-04-09 | — | — | US | claimed |
| CN-117777455-A | Fluorine-containing polysiloxane, preparation method thereof, photoresist composition and application thereof | 山东同益光刻胶材料科技有限公司 | 2024-03-29 | — | — | CN | claimed |
| EP-3630376-B1 | GRAPHENE ENHANCED AND ENGINEERED MATERIALS FOR MEMBRANE TOUCH SWITCH AND OTHER FLEXIBLE ELECTRONIC STRUCTURES | ALPHA ASSEMBLY SOLUTIONS INC (US) | 2024-03-27 | — | — | EP | claimed |
| EP-4335557-A2 | GRAPHENE ENHANCED AND ENGINEERED MATERIALS FOR MEMBRANE TOUCH SWITCH AND OTHER FLEXIBLE ELECTRONIC STRUCTURES | Alpha Assembly Solutions Inc. (US) | 2024-03-13 | — | — | EP | claimed |
| EP-0251187-A2 | Method for purifying novolak resins useful as material for coating on a semiconductor substrate | NIPPON ZEON CO., LTD. (JP) | 1988-01-07 | — | — | EP | claimed |
| EP-0249183-A2 | Adducts of partially hydrolyzed epoxy resins and polyamines | THE DOW CHEMICAL COMPANY (US) | 1987-12-16 | — | — | EP | claimed |
| US-4686246-A | Shock resistant ink compositions and writing instruments including the compositions | THE GILLETTE COMPANY (US) | 1987-08-11 | — | — | US | claimed |
| US-4664711-A | TITANIUM DIOXIDE DISPERSION | PILOT INK CO., LTD. (JP) | 1987-05-12 | — | — | US | claimed |
| US-4545818-A | WETTING AGENT, COLORING AGENT, XANTHAN GUM, AND PERMEABLE SOLVENT | UNITED KINGDOM ATOMIC ENERGY AUTHORITY (GB) | 1985-10-08 | — | — | US | claimed |
| US-4510283-A | Silicone-type coating resin solution | FUJITSU LTD. (JP) | 1985-04-09 | — | — | US | claimed |
| EP-0009982-B1 | AN AQUEOUS POLYMER DISPERSION COMPOSITION USEFUL AS A GLAZING COAT FOR PAPERS | DAICEL LTD. (JP) | 1983-05-18 | — | — | EP | claimed |
| US-4239722-A | DRY SPINNING A POLYACRYLONITRILE IN A NONSOLVENT | BAYER AKTIENGESELLSCHAFT (DE) | 1980-12-16 | — | — | US | claimed |
| EP-0009982-A1 | An aqueous polymer dispersion composition useful as a glazing coat for papers | DAICEL LTD. (JP) | 1980-04-16 | — | — | EP | claimed |
| US-4196109-A | CARBOXYLIC GROUPS, AMINE SALT | SCHENECTADY CHEMICALS, INC. (US) | 1980-04-01 | — | — | US | claimed |