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 SCHEMBL9484116 | 1.00 | — | — | |
| Water SCHEMBL8369534 | 1.00 | — | — | |
| Water SCHEMBL1504321 | 1.00 | — | — | |
| Water SCHEMBL3820520 | 1.00 | — | — | |
| Water SCHEMBL22588912 | 1.00 | — | — | |
| Water SCHEMBL1530181 | 1.00 | — | — | |
| Water SCHEMBL8193216 | 1.00 | — | — | |
| Water SCHEMBL6228132 | 1.00 | — | — | |
| Water SCHEMBL3819207 | 1.00 | — | — | |
| Water SCHEMBL797313 | 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
Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108963290-A | A kind of improvement Cathodic Composition for lifesaving positioning lamp | 埃普希勒电动燃料有限公司 | 2018-12-07 | — | — | CN | claimed |
| EP-0891224-B1 | A METHOD OF PREPARING A VINYL ACETATE CATALYST EMPLOYING AN ALKALI METAL BORATE | HOECHST CELANESE CORP (US) | 1999-11-24 | — | — | EP | claimed |
| CN-103069632-B | Flow battery system | APPLIED MATERIALS, INC. (US) | 2015-11-25 | — | — | CN | disclosed |
| CN-103069632-A | Flow battery system | APPLIED MATERIALS INC | 2013-04-24 | — | — | CN | disclosed |
| CN-1210390-C | Laundry detergent compositions with linea amine based polymer to provide appearance and integrity benefits to fabrics laundered therewith | PROCTER & GAMBLE (US) | 2005-07-13 | — | — | CN | disclosed |
| CN-1192086-C | Laundry detergent compositions containing anionically modified cyclic amine based polymers | PROCTER & GAMBLE (US) | 2005-03-09 | — | — | CN | disclosed |
| CN-1101463-C | Process for preparing granular detergent component or composition | PROCTER & GAMBLE (US) | 2003-02-12 | — | — | CN | disclosed |
| CN-1346400-A | granular detergent composition with improved solubility | PROCTER & GAMBLE (US) | 2002-04-24 | — | — | CN | disclosed |
| CN-1320159-A | Granular detergent composition having improved appearance and solubility | PROCTER & GAMBLE (US) | 2001-10-31 | — | — | CN | disclosed |
| CN-1278296-A | Laundry detergent compositions with anionically modified, cyclic amine based polymers | PROCTER & GAMBLE (US) | 2000-12-27 | — | — | CN | disclosed |
| CN-1278295-A | Laundry detergent compositions containing linear amine based polymers to improve the appearance and integrity of laundered fabrics | PROCTER & GAMBLE (US) | 2000-12-27 | — | — | CN | disclosed |
| CN-1045988-C | Process for making compact detergent compositions | PROCTER & GAMBLE (US) | 1999-10-27 | — | — | CN | disclosed |
| CN-1188505-A | Process for preparing granular detergent component or composition | PROCTER & GAMBLE (US) | 1998-07-22 | — | — | CN | disclosed |
| CN-1185804-A | Bleaching compositions comprising selective perfumes for masking bleach odor | PROCTER & GAMBLE (US) | 1998-06-24 | — | — | CN | disclosed |
| CN-1153525-A | laundry detergent composition | PROCTER & GAMBLE (US) | 1997-07-02 | — | — | CN | disclosed |
| CN-1083521-A | The preparation method of compact detergent compositions | PROCTER & GAMBLE (US) | 1994-03-09 | — | — | CN | disclosed |