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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
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 SCHEMBL6577066 | 1.00 | CA1 (0.36) | CA1CA2CA9ACHETSHR | |
| Water SCHEMBL136417 | 1.00 | — | — | |
| Water SCHEMBL6905389 | 1.00 | — | — | |
| Water SCHEMBL4437080 | 1.00 | CA1 (0.36) | CA1CA2CA9ACHETSHR | |
| Water SCHEMBL23800672 | 0.95 | — | — | |
| Water SCHEMBL3728023 | 0.95 | — | — | |
| Water SCHEMBL9137493 | 0.95 | — | — | |
| Water SCHEMBL21609754 | 0.95 | CA1 (0.33) | CA1CA2CA9 | |
| Water SCHEMBL7936913 | 0.95 | — | — | |
| Water SCHEMBL7785499 | 0.95 | — | — |
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
Claimed or disclosed in 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1544205-A1 | Process for the preparation of dialkylphosphinic acid salts | Clariant GmbH (DE) | 2005-06-22 | — | — | EP | claimed |
| EP-3197905-B1 | METHOD FOR PRODUCING ETHYLENEDIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS, AND THE USE THEREOF AS FLAME RETARDANTS | CLARIANT INT LTD (CH) | 2021-06-30 | — | — | EP | disclosed |
| EP-3197905-A1 | METHOD FOR PRODUCING ETHYLENEDIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS, AND THE USE THEREOF AS FLAME RETARDANTS | Clariant Plastics & Coatings Ltd (CH) | 2017-08-02 | — | — | EP | disclosed |
| EP-2379575-B1 | HYDROPHOSPHORYLATION OF PHOSPHONIC ACID DERIVATIVES TO YIELD FLAME RETARDANTS | CLARIANT INT LTD (CH) | 2017-04-12 | — | — | EP | disclosed |
| WO-2016045976-A1 | METHOD FOR PRODUCING ETHYLENEDIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS, AND THE USE THEREOF AS FLAME RETARDANTS | CLARIANT INTERNATIONAL LTD (CH) | 2016-03-31 | — | — | WO | disclosed |
| EP-2379572-B1 | METHOD FOR THE PRODUCTION OF MONOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF | CLARIANT INT LTD (CH) | 2015-12-23 | — | — | EP | disclosed |
| EP-2379570-B1 | METHOD FOR THE PRODUCTION OF ALKYLPHOSPHONIC ACIDS, ESTERS, AND SALTS BY OXIDIZING ALKYLPHOSPHONOUS ACIDS, AND USE THEREOF | CLARIANT FINANCE BVI LTD (VG) | 2015-01-21 | — | — | EP | disclosed |
| EP-2352740-B1 | METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLIC ACID DERIVATIVES AND USE THEREOF | CLARIANT FINANCE BVI LTD (VG) | 2014-09-24 | — | — | EP | disclosed |
| EP-2373666-B1 | METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF | CLARIANT FINANCE BVI LTD (VG) | 2014-09-24 | — | — | EP | disclosed |
| EP-2379573-B1 | PROCESS FOR PREPARING ETHYLENEDIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS BY MEANS OF ACETYLENE AND USE THEREOF | CLARIANT FINANCE BVI LTD (VG) | 2013-12-11 | — | — | EP | disclosed |
| WO-2010051884-A1 | METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS AND USE THEREOF | CLARIANT INTERNATIONAL LTD (CH) | 2010-05-14 | — | — | WO | disclosed |
| WO-2010051889-A1 | METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF AND USE THEREOF | CLARIANT INTERNATIONAL LTD (CH) | 2010-05-14 | — | — | WO | disclosed |
| WO-2010051885-A1 | METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACROLEINS AND USE THEREOF | CLARIANT INTERNATIONAL LTD (CH) | 2010-05-14 | — | — | WO | disclosed |
| WO-2010051893-A1 | METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLIC ACID DERIVATIVES AND USE THEREOF | CLARIANT INTERNATIONAL LTD (CH) | 2010-05-14 | — | — | WO | disclosed |
| WO-2010051887-A1 | METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF VINYL COMPOUNDS AND USE THEREOF | CLARIANT INTERNATIONAL LTD (CH) | 2010-05-14 | — | — | WO | disclosed |
| WO-2010051883-A1 | METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS/ACROLEINS AND USE THEREOF | CLARIANT INTERNATIONAL LTD (CH) | 2010-05-14 | — | — | WO | disclosed |
| EP-1832595-B1 | Compounds of mono-carboxyl functionalised dialkylphosphine acid salts and other components, a method for their manufacture and their application | CLARIANT FINANCE BVI LTD (VG) | 2009-07-15 | — | — | EP | disclosed |
| EP-1544205-B1 | Process for the preparation of dialkylphosphinic acid salts | CLARIANT PRODUKTE DEUTSCHLAND (DE) | 2008-06-04 | — | — | EP | disclosed |
| EP-1832595-A1 | Compounds of mono-carboxyl functionalised dialkylphosphine acid salts and other components, a method for their manufacture and their application | CLARIANT INTERNATIONAL LTD. (CH) | 2007-09-12 | — | — | EP | disclosed |
| EP-1544205-A1 | Process for the preparation of dialkylphosphinic acid salts | Clariant GmbH (DE) | 2005-06-22 | — | — | EP | disclosed |