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 SCHEMBL8027163 | 1.00 | — | — | |
| Water SCHEMBL19946487 | 0.87 | — | — | |
| Water SCHEMBL30377395 | 0.87 | — | — | |
| Water SCHEMBL31182206 | 0.87 | — | — | |
| Water SCHEMBL23298299 | 0.82 | — | — | |
| Water SCHEMBL168325 | 0.82 | — | — | |
| Water SCHEMBL22471762 | 0.82 | — | — | |
| Water SCHEMBL21358072 | 0.82 | — | — | |
| Water SCHEMBL10378772 | 0.82 | — | — | |
| Water SCHEMBL60837 | 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113912109-B | Preparation method of nano titanium dioxide porous material | 成都先进金属材料产业技术研究院股份有限公司 | 2023-04-25 | — | — | CN | claimed |
| CN-113912109-A | Preparation method of nano titanium dioxide porous material | 成都先进金属材料产业技术研究院股份有限公司 | 2022-01-11 | — | — | CN | claimed |
| US-20180239070-A1 | MODIFYING OPTICAL PROPERTIES OF THIN FILM STRUCTURES USING AN ABSORBING ELEMENT | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2018-08-23 | — | — | US | claimed |
| CN-113912109-B | Preparation method of nano titanium dioxide porous material | 成都先进金属材料产业技术研究院股份有限公司 | 2023-04-25 | — | — | CN | disclosed |
| CN-113912109-A | Preparation method of nano titanium dioxide porous material | 成都先进金属材料产业技术研究院股份有限公司 | 2022-01-11 | — | — | CN | disclosed |
| US-20180239070-A1 | MODIFYING OPTICAL PROPERTIES OF THIN FILM STRUCTURES USING AN ABSORBING ELEMENT | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2018-08-23 | — | — | US | disclosed |
| CN-105188924-A | Selective catalytic reduction catalyst system | BASF SE | 2015-12-23 | — | — | CN | disclosed |
| CN-105026038-A | Selective catalytic reduction catalyst system | BASF SE | 2015-11-04 | — | — | CN | disclosed |
| CN-102834594-B | Exhaust gas purification system for internal combustion engine | TOYOTA MOTOR CORP. (JP) | 2014-10-22 | — | — | CN | disclosed |
| CN-102037230-B | Abnormality diagnosis device and abnormality diagnosis method for NOx sensor | TOYOTA MOTOR CORP | 2014-01-22 | — | — | CN | disclosed |
| CN-101896701-B | Apparatus for making diagnosis of abnormality of NOx catalyst and method for making diagnosis of abnormality | TOYOTA MOTOR CORP | 2013-01-09 | — | — | CN | disclosed |
| CN-101316992-B | Exhaust gas purifier for internal combustion engine | TOYOTA MOTOR CO LTD | 2010-06-09 | — | — | CN | disclosed |
| CN-101668931-A | Apparatus for diagnosis of abnormality in exhaust gas purification system | TOYOTA MOTOR CO LTD | 2010-03-10 | — | — | CN | disclosed |
| CN-101316992-A | Exhaust gas purifier for internal combustion engine | TOYOTA MOTOR CO LTD (JP) | 2008-12-03 | — | — | CN | disclosed |
| CN-101305169-A | Exhaust purifying system for internal combustion engine | TOYOTA MOTOR CO LTD (JP) | 2008-11-12 | — | — | CN | disclosed |
| CN-101292077-A | Exhaust cleaner for internal combustion engine | TOYOTA MOTOR CO LTD (JP) | 2008-10-22 | — | — | CN | disclosed |
| CN-101171407-A | Exhaust gas purification device for internal combustion engine | TOYOTA MOTOR CO LTD (JP) | 2008-04-30 | — | — | CN | disclosed |
| EP-0985648-B1 | GAS-PHASE OXIDATION PROCESS AND PROCESS FOR THE PREPARATION OF PHTHALIC ANHYDRIDE | NIPPON STEEL CHEMICAL CO (JP) | 2003-05-21 | — | — | EP | disclosed |
| US-6369240-B1 | VAPOR PHASE OXIDATION OF HYDROCARBONS USING OXYGEN AND A FIXED BED | NIPPON STEEL CHEMICAL CO., LTD. (JP) | 2002-04-09 | — | — | US | disclosed |
| EP-0985648-A1 | GAS-PHASE OXIDIZATION PROCESS AND PROCESS FOR THE PREPARATION OF PHTHALIC ANHYDRIDE | NIPPON STEEL CHEMICAL CO., LTD. (JP) | 2000-03-15 | — | — | EP | disclosed |