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 SCHEMBL438148 | 1.00 | — | — | |
| Water SCHEMBL8518046 | 1.00 | — | — | |
| Water SCHEMBL28201600 | 1.00 | — | — | |
| Water SCHEMBL8166098 | 1.00 | — | — | |
| Water SCHEMBL22721249 | 1.00 | — | — | |
| Water SCHEMBL9560642 | 1.00 | — | — | |
| Water SCHEMBL21177128 | 0.82 | — | — | |
| Water SCHEMBL20787069 | 0.82 | — | — | |
| Water SCHEMBL19656209 | 0.82 | — | — | |
| Water SCHEMBL21810573 | 0.82 | — | — |
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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110201005-A | The synthetic method of the visualization guidance tumour combined immunization treatment nanometer formulation of Gd:CuS mineralising sendai virus | 天津大学 | 2019-09-06 | — | — | CN | claimed |
| CN-110179837-A | The synthetic method of the visualization guidance tumour combined immunization treatment nanometer formulation of Gd:CuS mineralising influenza virus | 天津大学 | 2019-08-30 | — | — | CN | claimed |
| CN-109125744-A | A kind of preparation method with MRI Yu the Gd2 O3 hafnium oxide nano particle of CT bimodal imaging function | 浙江大学 | 2019-01-04 | — | — | CN | claimed |
| EP-1423436-B1 | USE OF HEPARINOID DERIVATIVES FOR TREATING AND DIAGNOSING DISEASES THAT CAN BE TREATED BY HEPARINOIDS | SANOFI AVENTIS DEUTSCHLAND (DE) | 2006-04-12 | — | — | EP | claimed |
| EP-1110963-B1 | Chlorin- and bacteriochlorin-aminophenylDTPA conjugates for MR contrast media and radiopharmaceuticals | HEALTH RESEARCH INC (US) | 2004-04-21 | — | — | EP | claimed |
| US-20010046983-A1 | Chlorin and bacteriochlorin-based aminophenyl DTPA and N2S2 conjugates for MR contrast media and radiopharmaceuticals | HEALTH RESEARCH, INC. | 2001-11-29 | — | — | US | claimed |
| EP-1110963-A2 | Chlorin and bacteriochlorin-based aminophenyl DTPA and N2S2 conjugates for MR contrast media and radiopharmaceuticals | HEALTH RESEARCH, INC. (US) | 2001-06-27 | — | — | EP | claimed |
| EP-4188966-A1 | POLYSACCHARIDE COMPRISING A CHELATING GROUP SOLUBLE AT PHYSIOLOGICAL PH AND USE THEREOF | Mexbrain (FR) | 2023-06-07 | — | — | EP | disclosed |
| WO-2020241665-A1 | MACROPHAGE IMAGING AGENT | 国立大学法人京都大学 | 2020-12-03 | — | — | WO | disclosed |
| CN-107884809-B | Neutron detector and neutron detection method | 中国科学院高能物理研究所 | 2020-09-15 | — | — | CN | disclosed |
| EP-3689384-A1 | ULTRAFINE NANOPARTICLES AS A MULTI-MODE CONTRAST AGENT | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) | 2020-08-05 | — | — | EP | disclosed |
| EP-3664114-A1 | USE OF AT LEAST ONE MIXED URANIUM OXIDE AS AN ACTIVE MATERIAL OF A SUPERCAPACITOR ELECTRODE AND SUPERCAPACITOR COMPRISING SUCH AN ACTIVE MATERIAL | Commissariat à l'énergie atomique et aux énergies alternatives (FR) | 2020-06-10 | — | — | EP | disclosed |
| EP-3234061-B1 | NANO-INHIBITORS | TOTAL SA (FR) | 2020-05-27 | — | — | EP | disclosed |
| CN-1177806-C | Contrast agents for diagnostic imaging that can prolong blood retention | EPIXҽѧ��˾ | 2004-12-01 | — | — | CN | disclosed |
| WO-2004082721-A1 | COMPLEXES OF GD +3 GADOLINIUM IONS WITH DERIVATIVES OF N-2- (2- (PHENYLAMINO) -2- OXOETHYL) -N- (CARBOXYMETHYL) - GLYCINE AND METHOD FOR OBTAINING THESE COMPLEXES | UNIWERSYSTET MEDYCZNY (PL) | 2004-09-30 | — | — | WO | disclosed |
| EP-1349639-A1 | METHOD OF SEPARATING ISOTOPES | Framatome ANP (FR) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002053269-A1 | METHOD OF SEPARATING ISOTOPES | FRAMATOME ANP (FR) | 2002-07-11 | — | — | WO | disclosed |
| EP-0661279-B1 | Polyaminated ligands, metal complexes, process for their preparation and diagnostic and therapeutic applications | GUERBET SA (FR) | 2001-03-07 | — | — | EP | disclosed |
| EP-0661279-A1 | Polyaminated ligands, metal complexes, process for their preparation and diagnostic and therapeutic applications | GUERBET S.A. (FR) | 1995-07-05 | — | — | EP | disclosed |
| EP-0133603-A1 | Specific relaxation agents for organs or pathologics for use in modifying the contrast of medical imagery by nuclear magnetic resonance | Société anonyme: COMPAGNIE ORIS INDUSTRIE (FR) | 1985-02-27 | — | — | EP | disclosed |