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 SCHEMBL4622030 | 1.00 | — | — | |
| Fluoride SCHEMBL28099450 | 0.94 | — | — | |
| SCHEMBL2815 | 0.93 | — | — | |
| SCHEMBL27524417 | 0.93 | ALDH1A1 (0.46) | — | |
| SCHEMBL10871026 | 0.93 | ALDH1A1 (0.46) | — | |
| SCHEMBL434958 | 0.93 | — | — | |
| SCHEMBL437564 | 0.93 | — | — | |
| SCHEMBL6799285 | 0.93 | ALDH1A1 (0.46) | — | |
| Ethylene SCHEMBL1276812 | 0.86 | — | — | |
| SCHEMBL9864905 | 0.86 | — | — |
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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3299442-B1 | METHANOL CONTAINING FUEL AND PROCESS FOR POWERING A COMPRESSION IGNITION ENGINE WITH THIS FUEL | GANE ENERGY & RESOURCES PTY LTD (AU) | 2021-03-31 | — | — | EP | claimed |
| CN-108474235-A | Door for a refrigeration cabinet | 旭硝子欧洲玻璃公司 | 2018-08-31 | — | — | CN | claimed |
| EP-2794810-B1 | OIL RECOVERY PROCESS | SHELL INT RESEARCH (NL) | 2017-11-15 | — | — | EP | claimed |
| EP-1900428-B1 | Production method of primary amines and catalysts for producing primary amines | MITSUBISHI GAS CHEMICAL CO (JP) | 2016-01-06 | — | — | EP | claimed |
| EP-1877361-B1 | PROCESS FOR CARBONYLATION OF ALKYL ETHERS | UNIV CALIFORNIA (US) | 2015-09-09 | — | — | EP | claimed |
| EP-1937692-B1 | METHOD FOR PREPARING DIORGANOMAGNESIUM-CONTAINING SYNTHESIS MEANS | CHEMETALL GMBH (DE) | 2013-09-25 | — | — | EP | claimed |
| CN-102391444-B | Amphipathic block copolymer containing polyisobutylene and polycation and preparation thereof | UNIV SOOCHOW | 2013-05-08 | — | — | CN | claimed |
| CN-102391443-B | Amphipathic block copolymer containing polyisobutylene and polyanion and preparation thereof | UNIV SOOCHOW | 2013-04-17 | — | — | CN | claimed |
| CN-102391443-A | Amphipathic block copolymer containing polyisobutylene and polyanion and preparation thereof | UNIV SOOCHOW | 2012-03-28 | — | — | CN | claimed |
| CN-102391444-A | Amphipathic block copolymer containing polyisobutylene and polycation and preparation thereof | UNIV SOOCHOW | 2012-03-28 | — | — | CN | claimed |
| EP-0643739-A1 | PROCESS FOR MANUFACTURING HIGHLY PRESSURE-RESISTANT SLABS OF CELLULAR MATERIAL FROM STYRENE POLYMERS. | BASF AG (DE) | 1995-03-22 | — | — | EP | claimed |
| WO-1993024560-A1 | PROCESS FOR MANUFACTURING HIGHLY PRESSURE-RESISTANT SLABS OF CELLULAR MATERIAL FROM STYRENE POLYMERS | BASF AKTIENGESELLSCHAFT (DE) | 1993-12-09 | — | — | WO | claimed |
| EP-0349178-B1 | CARBONYLATION PROCESS FOR PREPARATION OF AROMATIC CARBOXYLIC ESTERS AND AN ALKYL IODIDE | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1993-07-28 | — | — | EP | claimed |
| EP-0406266-B1 | PROCESS FOR THE CO-PRODUCTION OF AROMATIC CARBOXYLATES AND ALKYL IODIDES | EASTMAN KODAK COMPANY (US) | 1993-02-03 | — | — | EP | claimed |
| EP-0386120-B1 | PROCESS FOR THE CO-PRODUCTION OF AROMATIC CARBOXYLATE AND ALKYL IODIDES | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1993-01-13 | — | — | EP | claimed |
| EP-0390808-B1 | PROCESS FOR THE CO-PRODUCTION OF AROMATIC CARBOXYLATE AND ALKYL IODIDES | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1993-01-07 | — | — | EP | claimed |
| EP-0147156-B1 | PROCESS FOR THE PRODUCTION OF ALPHA, BETA-ETHYLENICALLY UNSATURATED ESTERS | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1988-08-17 | — | — | EP | claimed |
| EP-0116417-B1 | METHOD FOR THE PREPARATION OF FLUORINATED ETHERS | THE ELECTRICITY COUNCIL (GB) | 1987-07-22 | — | — | EP | claimed |
| EP-0054387-B1 | METHOD FOR THE PREPARATION OF HYDROCARBONS BY USING ZEOLITE CATALYSTS OF THE TYPE NU-5. | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-09-18 | — | — | EP | claimed |
| EP-0077116-B1 | PREPARATION OF ALKYLIDENE DIESTERS | MONSANTO COMPANY (US) | 1984-09-12 | — | — | EP | claimed |