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 SCHEMBL8169807 | 1.00 | — | — | |
| Water SCHEMBL28696356 | 1.00 | — | — | |
| Water SCHEMBL781994 | 1.00 | — | — | |
| Water SCHEMBL27412506 | 0.93 | — | — | |
| Water SCHEMBL665405 | 0.93 | — | — | |
| Water SCHEMBL663593 | 0.93 | — | — | |
| Water SCHEMBL28974157 | 0.93 | — | — | |
| Water SCHEMBL11407418 | 0.93 | — | — | |
| Water SCHEMBL8650554 | 0.91 | — | — | |
| Water SCHEMBL8169302 | 0.91 | — | — |
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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004076034-A1 | GAS SCRUBBING REAGENT AND METHODS FOR USING SAME | VANDINE ROBERT W (US) | 2004-09-10 | — | — | WO | claimed |
| US-20040166043-A1 | Gas scrubbing reagent and methods for using same | VANDINE ROBERT W (US) | 2004-08-26 | — | — | US | claimed |
| US-10717115-B2 | Methods of using enzyme compositions | ECOLAB USA INC. (US) | 2020-07-21 | — | — | US | disclosed |
| US-20170333956-A1 | METHODS OF USING ENZYME COMPOSITIONS | ECOLAB USA INC. | 2017-11-23 | — | — | US | disclosed |
| US-9738857-B2 | Methods of using enzyme compositions | ECOLAB USA INC. (US) | 2017-08-22 | — | — | US | disclosed |
| US-20150322383-A1 | METHODS OF USING ENZYME COMPOSITIONS | ECOLAB USA INC. | 2015-11-12 | — | — | US | disclosed |
| US-9133420-B2 | Methods of using enzyme compositions | ECOLAB USA INC. (US) | 2015-09-15 | — | — | US | disclosed |
| WO-2014110015-A1 | METHODS OF USING ENZYME COMPOSITIONS | ECOLAB USA INC. (US) | 2014-07-17 | — | — | WO | disclosed |
| US-20140190526-A1 | METHODS OF USING ENZYME COMPOSITIONS | ECOLAB USA INC. (US) | 2014-07-10 | — | — | US | disclosed |
| US-7964547-B2 | Cleaner concentrate comprising ethanoldiglycine and a tertiary surfactant mixture | ECOLAB USA INC. (US) | 2011-06-21 | — | — | US | disclosed |
| US-20110028370-A1 | CLEANER CONCENTRATES, ASSOCIATED CLEANERS, AND ASSOCIATED METHODS | Underwood, Danielle E. (US) | 2011-02-03 | — | — | US | disclosed |
| EP-0585352-B1 | WATER DISPERSIBLE FILM COVERED ALKALINE COMPOSITION | ECOLAB INC (US) | 1995-07-26 | — | — | EP | disclosed |
| EP-0585363-B1 | TWO PART CHEMICAL CONCENTRATE | ECOLAB INC (US) | 1995-04-12 | — | — | EP | disclosed |
| WO-1994028101-A1 | FOAM SURFACE CLEANER | ECOLAB INC. (US) | 1994-12-08 | — | — | WO | disclosed |
| US-5316688-A | Packaged detergents | ECOLAB INC. (US) | 1994-05-31 | — | — | US | disclosed |
| EP-0585352-A1 | WATER DISPERSIBLE FILM COVERED ALKALINE COMPOSITION. | ECOLAB INC (US) | 1994-03-09 | — | — | EP | disclosed |
| EP-0585363-A1 | TWO PART CHEMICAL CONCENTRATE. | ECOLAB INC (US) | 1994-03-09 | — | — | EP | disclosed |
| WO-1992020775-A1 | WATER DISPERSIBLE FILM COVERED ALKALINE COMPOSITION | ECOLAB INC. (US) | 1992-11-26 | — | — | WO | disclosed |
| WO-1992020774-A1 | TWO PART CHEMICAL CONCENTRATE | ECOLAB INC. (US) | 1992-11-26 | — | — | WO | disclosed |
| US-4915872-A | Cast solid block corrosion inhibitor composition | DREW CHEMICAL CORPORATION (US) | 1990-04-10 | — | — | US | disclosed |