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 SCHEMBL27903219 | 1.00 | — | — | |
| Water SCHEMBL27903218 | 1.00 | — | — | |
| SCHEMBL43026 | 0.96 | — | — | |
| SCHEMBL180262 | 0.96 | — | — | |
| SCHEMBL47717 | 0.96 | — | — | |
| Bromide SCHEMBL1591112 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL307082 | 0.92 | — | — | |
| Bromide SCHEMBL1591114 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL8740035 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL306844 | 0.92 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8084001-B2 | Photoluminescent silica-based sensors and methods of use | CORNELL RESEARCH FOUNDATION, INC. (US) | 2011-12-27 | — | — | US | disclosed |
| US-20110263037-A1 | POLYMERIC MATERIALS INCORPORATING CORE-SHELL SILICA NANOPARTICLES | CORNELL UNIVERSITY | 2011-10-27 | — | — | US | disclosed |
| US-20100112619-A1 | LIGAND-CONTAINING MICELLES AND USES THEREOF | GRAHAM RONALD J | 2010-05-06 | — | — | US | disclosed |
| WO-2009140266-A2 | POLYMERIC MATERIALS INCORPORATING CORE-SHELL SILICA NANOPARTICLES | CORNELL UNIVERSITY (US) | 2009-11-19 | — | — | WO | disclosed |
| US-20090047699-A1 | FLUOROGENIC ENZYME ACTIVITY ASSAY METHODS AND COMPOSITIONS USING FRAGMENTABLE LINKERS | APPLIED BIOSYSTEMS INC. (US) | 2009-02-19 | — | — | US | disclosed |
| US-20070009980-A1 | Continuous fluorogenic analyte assays with dendritic amplification of signal | APPLERA CORPORATION (US) | 2007-01-11 | — | — | US | disclosed |
| US-20060245971-A1 | Photoluminescent silica-based sensors and methods of use | NATIONAL SCIENCE FOUNDATION | 2006-11-02 | — | — | US | disclosed |
| US-20060121553-A1 | Fluorogenic enzyme assay methods, kits and compositions using charge-balancers | APPLERA CORPORATION (US) | 2006-06-08 | — | — | US | disclosed |
| US-20060035302-A1 | Kinase substrates with multiple phosphorylation sites | APPLERA CORPORATION (US) | 2006-02-16 | — | — | US | disclosed |
| US-20060003383-A1 | Fluorogenic enzyme activity assay methods and compositions using fragmentable linkers | APPLERA CORPORATION (US) | 2006-01-05 | — | — | US | disclosed |
| US-20050245726-A1 | Detecting the phosphorylation activity of protein kinases using a substrate compound with hydrophobic moieties that integrate the compound into a micelle, non-proteinaceous fluorescent moieties (fluorescent dyes), and an enzyme recognition moiety | APPLIED BIOSYSTEMS, LLC | 2005-11-03 | — | — | US | disclosed |
| US-20050244891-A1 | Ligand-containing micelles and uses thereof | APPLERA CORPORATION (US) | 2005-11-03 | — | — | US | disclosed |
| US-20050239217-A1 | Fluorogenic homogeneous binding assay methods and compositions | APPLERA CORPORATION (US) | 2005-10-27 | — | — | US | disclosed |
| US-20050026235-A1 | Fluorescent phospholipase assays and compositions | APPLIED BIOSYSTEMS, INC. | 2005-02-03 | — | — | US | disclosed |