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 SCHEMBL465936 | 0.82 | — | — | |
| Water SCHEMBL10999235 | 0.82 | — | — | |
| Water SCHEMBL10938611 | 0.82 | — | — | |
| Water SCHEMBL15756782 | 0.82 | — | — | |
| Water SCHEMBL9043508 | 0.82 | — | — | |
| Water SCHEMBL25376347 | 0.82 | — | — | |
| Water SCHEMBL16822414 | 0.82 | — | — | |
| Water SCHEMBL1323986 | 0.82 | — | — | |
| Water SCHEMBL22776065 | 0.82 | — | — | |
| Water SCHEMBL117776 | 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102600888-B | Benzene hydrogenation catalyst as well as preparation method and application thereof | UNIV XIANGTAN | 2015-02-18 | — | — | CN | claimed |
| CN-102600888-A | Benzene hydrogenation catalyst as well as preparation method and application thereof | UNIV XIANGTAN | 2012-07-25 | — | — | CN | claimed |
| US-7629288-B2 | From fluid containing hydrogen and carbon monoxide; impregnation, calcining | CONOCOPHILLIPS COMPANY (US) | 2009-12-08 | — | — | US | claimed |
| US-20060128554-A1 | Catalyst composition comprising ruthenium and a treated silica support component and processes therefor and therewith for preparing high molecular weight hydrocarbons such as polymethylene | CONOCOPHILLIPS COMPANY (US) | 2006-06-15 | — | — | US | claimed |
| US-6956064-B2 | Catalyst composition comprising ruthenium and zirconium and processes therefor and therewith for preparing high molecular weight hydrocarbons such as polymethylene | CONOCOPHILLIPS COMPANY (US) | 2005-10-18 | — | — | US | claimed |
| US-20040127583-A1 | Catalyst composition comprising ruthenium and zirconium and processes therefor and therewith for preparing high molecular weight hydrocarbons such as polymethylene | PHILLIPS PETROLEUM COMPANY | 2004-07-01 | — | — | US | claimed |
| US-20040127584-A1 | Chemical vapor deposition synthesis of polymerization catalyst composition | PHILLIPS PETROLEUM COMPANY | 2004-07-01 | — | — | US | claimed |
| US-20040087672-A1 | Catalyst composition comprising ruthenium and a treated silica support component and processes therefor and therewith for preparing high molecular weight hydrocarbons such as polymethylene | PHILLIPS PETROLEUM COMPANY | 2004-05-06 | — | — | US | claimed |
| US-5719301-A | Method of conjugating double bonds in drying oils | ARCHER DANIELS MIDLAND COMPANY (US) | 1998-02-17 | — | — | US | claimed |
| CN-115318282-B | Ruthenium-titanium bi-component catalyst and preparation method and application thereof | 中国石油天然气股份有限公司 | 2024-07-19 | — | — | CN | disclosed |
| WO-2023039068-A1 | COMPOSITIONS AND METHODS FOR SYNTHESIS OF PEPTIDE NUCLEIC ACID INTERMEDIATES | NEUBASE THERAPEUTICS, INC. (US) | 2023-03-16 | — | — | WO | disclosed |
| CN-115318282-A | Ruthenium-titanium bi-component catalyst and preparation method and application thereof | 中国石油天然气股份有限公司 | 2022-11-11 | — | — | CN | disclosed |
| CN-115141093-A | Preparation method of ruthenium acetate | 浙江微通催化新材料有限公司 | 2022-10-04 | — | — | CN | disclosed |
| CN-111167505-B | High-stability ruthenium-based catalyst and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-09-20 | — | — | CN | disclosed |
| US-20040087672-A1 | Catalyst composition comprising ruthenium and a treated silica support component and processes therefor and therewith for preparing high molecular weight hydrocarbons such as polymethylene | PHILLIPS PETROLEUM COMPANY | 2004-05-06 | — | — | US | disclosed |
| WO-2004016350-A1 | PROCESS FOR CONJUGATING CARBON-CARBON DOUBLE BONDS IN OILS | ARCHER-DANIELS-MIDLAND COMPANY (US) | 2004-02-26 | — | — | WO | disclosed |
| US-6696581-B1 | HEATING IN ORGANIC SOLVENT CONTAINING RUTHENIUM TRICHLORIDE HYDRATE | ARCHER-DANIELS-MIDLAND COMPANY | 2004-02-24 | — | — | US | disclosed |
| US-5942058-A | BLEND OF POLYMER AND TRIGLYCERIDES | ARCHER DANIELS MIDLAND COMPANY (US) | 1999-08-24 | — | — | US | disclosed |
| US-5719301-A | Method of conjugating double bonds in drying oils | ARCHER DANIELS MIDLAND COMPANY (US) | 1998-02-17 | — | — | US | disclosed |
| EP-0780441-A2 | Co-adhesive system, for bonding wood, fibers, or agriculture based composite materials | ARCHER-DANIELS-MIDLAND COMPANY (US) | 1997-06-25 | — | — | EP | disclosed |