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 SCHEMBL5096747 | 0.96 | — | — | |
| SCHEMBL2026396 | 0.96 | — | — | |
| SCHEMBL395013 | 0.92 | — | — | |
| SCHEMBL5948900 | 0.89 | — | — | |
| SCHEMBL25422624 | 0.86 | — | — | |
| Water SCHEMBL16552982 | 0.84 | ESR1 (0.30) | — | |
| SCHEMBL69958 | 0.83 | ESR1 (0.32) | — | |
| SCHEMBL25420983 | 0.83 | — | — | |
| SCHEMBL9419591 | 0.83 | — | — | |
| SCHEMBL25422683 | 0.83 | — | — |
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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020115815-A1 | Poly (arylene ether sulfide) and poly (arylene ether sulfone) for optical device and method for preparing the same | KWAGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2002-08-22 | — | — | US | claimed |
| EP-1219665-A2 | Poly (arylene ether sulfide) and poly (arylene ether sulfone) for optical device and method for preparing the same | Kwangju Institute of Science and Technology (KR) | 2002-07-03 | — | — | EP | claimed |
| EP-2220101-B1 | TRANSITION METAL COMPOUNDS | BASELL POLYOLEFINE GMBH (DE) | 2018-09-19 | — | — | EP | disclosed |
| EP-2041188-B1 | CATALYST ACTIVATORS, PROCESSES FOR MAKING SAME, AND USE THEREOF IN CATALYSTS AND POLYMERIZATION OF OLEFINS | ALBEMARLE CORP (US) | 2017-06-14 | — | — | EP | disclosed |
| US-20130224624-A1 | PROTON EXCHANGE MEMBRANES | RENO (US) | 2013-08-29 | — | — | US | disclosed |
| US-8354479-B2 | Functional filler and resin composition containing same | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 2013-01-15 | — | — | US | disclosed |
| EP-1680453-B1 | ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PROCESS FOR PREPARING POLYOLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2012-08-15 | — | — | EP | disclosed |
| US-8207281-B2 | Process for preparing transition metal compounds for olefins polymerization | BASELL POLYOLEFINE GMBH (DE) | 2012-06-26 | — | — | US | disclosed |
| US-20110098419-A1 | FUNCTIONAL FILLER AND RESIN COMPOSITION CONTAINING SAME | SATOH MASAHIRO | 2011-04-28 | — | — | US | disclosed |
| US-7902304-B2 | Functional filler and resin composition containing same | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 2011-03-08 | — | — | US | disclosed |
| US-20110033776-A1 | PROTON EXCHANGE MEMBRANES | Board of regents of the Nevada System of Higher Education, on Behalf of the University of | 2011-02-10 | — | — | US | disclosed |
| WO-2003106470-A1 | TRANSITION METAL COMPOUNDS THEIR PREPARATION AND THEIR USE IN CATALYST SYSTEMS FOR THE POLYMERIZATION AND COPOLYMERIZATION OF OLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2003-12-24 | — | — | WO | disclosed |
| US-6610890-B1 | Treatment and/or prevention of diabetic complications; such as 3,3',4,4',5,5'-hexabromo-2,2'-dihydroxy-oxydiphenyl | O.N.C.E.-(ORGANIZACION NACIONAL DE CICGOS) (ES) | 2003-08-26 | — | — | US | disclosed |
| US-20030153628-A1 | ALDOSE REDUCTASE INHIBITORS AND PHARMACEUTICAL COMPOSITIONS | O.N.C.E.-(ORGANIZACION NACIONAL DE CIEGOS) (ES) | 2003-08-14 | — | — | US | disclosed |
| US-20030144434-A1 | Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins | EQUISTAR CHEMICALS, LP | 2003-07-31 | — | — | US | disclosed |
| WO-2003045551-A1 | ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2003-06-05 | — | — | WO | disclosed |
| US-20030035917-A1 | Image making medium | HYMAN SYDNEY (US) | 2003-02-20 | — | — | US | disclosed |
| US-20020115815-A1 | Poly (arylene ether sulfide) and poly (arylene ether sulfone) for optical device and method for preparing the same | KWAGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2002-08-22 | — | — | US | disclosed |
| JP-2002194082-A | POLYARYLENE ETHER SULFONE AND POLYARYLENE ETHER SULFIDE BOTH CONTAINING FLUORINE AND USED FOR OPTICAL ELEMENT, AND PRODUCTION METHOD FOR THE SAME | KWANGJU INST OF SCIENCE & TECHNOL | 2002-07-10 | — | — | JP | disclosed |
| EP-1219665-A2 | Poly (arylene ether sulfide) and poly (arylene ether sulfone) for optical device and method for preparing the same | Kwangju Institute of Science and Technology (KR) | 2002-07-03 | — | — | EP | disclosed |