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 SCHEMBL624 | 1.00 | — | — | |
| Water SCHEMBL11776131 | 1.00 | — | — | |
| Water SCHEMBL4407393 | 1.00 | — | — | |
| Water SCHEMBL15484266 | 1.00 | — | — | |
| Water SCHEMBL20503800 | 1.00 | — | — | |
| Water O 15 SCHEMBL25428717 | 1.00 | — | — | |
| SCHEMBL9235412 | 1.00 | — | — | |
| Water SCHEMBL2121635 | 1.00 | — | — | |
| Water SCHEMBL20338157 | 1.00 | — | — | |
| Water SCHEMBL19064 | 1.00 | — | — |
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 6020 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-20240238251-A9 | A Composition Comprising Heterocyclic Compounds, Preparation Method and Application Thereof | ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) | 2024-07-18 | — | — | US | claimed |
| CN-118343876-A | Method and device for recovering sulfate from waste alkali liquor | 中国石油化工股份有限公司 | 2024-07-16 | — | — | CN | claimed |
| CN-118324416-A | High-adhesion high-acid-resistance white glaze | 黄山市晶特美新材料有限公司 | 2024-07-12 | — | — | CN | claimed |
| WO-2024146979-A1 | METHOD OF RECYCLING AN AQUEOUS ALKALINE SPIN BATH | INFINITED FIBER COMPANY OY (FI) | 2024-07-11 | — | — | WO | claimed |
| CN-118289782-A | Method for producing potassium sulfate from potassium-containing brine | 青海恒域丰盐化产业(集团)有限责任公司 | 2024-07-05 | — | — | CN | claimed |
| EP-4392376-A1 | PROCESSING HARD ROCK LITHIUM MINERALS OR OTHER MATERIALS TO PRODUCE BOTH LITHIUM CARBONATE AND LITHIUM HYDROXIDE | Frontier Lithium Inc. (CA) | 2024-07-03 | — | — | EP | claimed |
| EP-4392377-A1 | PROCESSING HARD ROCK LITHIUM MINERALS OR OTHER MATERIALS TO PRODUCE LITHIUM MATERIALS AND BYPRODUCTS CONVERTED FROM A SODIUM SULFATE INTERMEDIATE PRODUCT | Frontier Lithium Inc. (CA) | 2024-07-03 | — | — | EP | claimed |
| CN-118084014-B | Method for producing ammonium bicarbonate by using melamine tail gas | 山东合力泰化工有限公司 | 2024-06-21 | — | — | CN | claimed |
| WO-2024120438-A1 | SOLID DISPERSION, PREPARATION METHOD THEREFOR, AND USE THEREOF | 杭州格博生物医药有限公司 | 2024-06-13 | — | — | WO | claimed |
| CN-114984941-B | Transition metal-based low-carbon alkane dehydrogenation catalyst and preparation method and application thereof | 上海润和科华工程设计有限公司 | 2024-06-11 | — | — | CN | claimed |
| US-4231885-A | Thermal energy storage composition comprising peat moss | SASKATCHEWAN MINERALS (CA) | 1980-11-04 | — | — | US | claimed |
| US-4173624-A | Recovery of sodium sulphate in production of iron oxide black pigments | BAYER AKTIENGESELLSCHAFT (DE) | 1979-11-06 | — | — | US | claimed |
| US-4168175-A | Fire retardant compositions | VITROFIL CORPORATION (US) | 1979-09-18 | — | — | US | claimed |
| US-4130538-A | SILICATE GLASS | VITROFIL CORPORATION (US) | 1978-12-19 | — | — | US | claimed |
| US-4118465-A | ABRASION RESISTANCE | L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) | 1978-10-03 | — | — | US | claimed |
| US-4092258-A | FOR DISHWASHERS; LOW FOAMING NONIONIC SURFACTANT, BLEACHING AGENT, AMMONIUM SULFATE, BORATE, CARBONATE OR BICARBONATE | DESOTO, INC. (US) | 1978-05-30 | — | — | US | claimed |
| US-4039617-A | Recovery of soda values and heat from sodium carbonate crystallizer purge liquors | ALLIED CHEMICAL CORPORATION (US) | 1977-08-02 | — | — | US | claimed |
| US-4033894-A | LOW FOAMING NONIONIC SURFACTANT, BLEACH, BORAX | DESOTO, INC. (US) | 1977-07-05 | — | — | US | claimed |
| US-4021360-A | NONIONIC SURFACTANT, ALKALI METAL HEXAMETAPHOSPHATE, BORAX | DESOTO, INC. (US) | 1977-05-03 | — | — | US | claimed |
| US-4020210-A | Encapsulated water paper | XEROX CORPORATION (US) | 1977-04-26 | — | — | US | claimed |