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 SCHEMBL2516277 | 1.00 | — | — | |
| SCHEMBL1902881 | 0.82 | — | — | |
| SCHEMBL29382254 | 0.82 | — | — | |
| SCHEMBL11654272 | 0.82 | — | — | |
| SCHEMBL34398 | 0.82 | — | — | |
| SCHEMBL29833055 | 0.82 | — | — | |
| Water SCHEMBL23888212 | 0.67 | — | — | |
| Water SCHEMBL2463959 | 0.67 | — | — | |
| Water SCHEMBL22187758 | 0.67 | — | — | |
| Water SCHEMBL1077235 | 0.67 | — | — |
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 233 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107096560-B | A kind of ruthenium-based ammonia synthetic catalyst and preparation method thereof | 福州大学化肥催化剂国家工程研究中心 | 2019-09-03 | — | — | CN | claimed |
| EP-2652548-B1 | ALL SOLID-STATE ELECTROCHROMIC DEVICE, ELECTROCHROMIC BILAYER FOR SAID DEVICE, AND METHOD FOR PRODUCING SAID DEVICE | COMMISSARIAT ENERGIE ATOMIQUE (FR) | 2018-07-11 | — | — | EP | claimed |
| EP-2647631-B1 | PREPARATION METHOD OF CATALYZING CARBOHYDRATE INTO 5-HYDROXYMETHYLFURFURAL | DALIAN INST CHEM & PHYSICS CAS (CN) | 2018-01-10 | — | — | EP | claimed |
| CN-107096560-A | A kind of ruthenium-based ammonia synthetic catalyst and preparation method thereof | 福州大学化肥催化剂国家工程研究中心 | 2017-08-29 | — | — | CN | claimed |
| US-9703165-B2 | Completely solid electrochromic device, electrochromic bilayer for said device, and method for producing said device | COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2017-07-11 | — | — | US | claimed |
| US-9327271-B2 | Catalytic conversion of carbohydrates into 5-hydroxymethylfurfural | DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) | 2016-05-03 | — | — | US | claimed |
| US-20160018714-A1 | COMPLETELY SOLID ELECTROCHROMIC DEVICE, ELECTROCHROMIC BILAYER FOR SAID DEVICE, AND METHOD FOR PRODUCING SAID DEVICE | COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2016-01-21 | — | — | US | claimed |
| US-9170466-B2 | Completely solid electrochromic device, electrochromic bilayer for said device, and method for producing said device | Commissariat à l'énergie atomique et aux énergies alternatives (FR) | 2015-10-27 | — | — | US | claimed |
| CN-103172599-B | Method for catalyzing carbohydrate to prepare 5-(hydroxymethyl) furfural (5-HMF) and levulinic acid (LA) | DALIAN CHEMICAL PHYSICS INST | 2014-12-24 | — | — | CN | claimed |
| US-20140302982-A1 | CATALYTIC CONVERSION OF CARBOHYDRATES INTO 5-HYDROXYMETHYLFURFURAL | DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) | 2014-10-09 | — | — | US | claimed |
| US-20090008531-A1 | Integrated electrooptic system | STMICROELECTRONICS S.A. (FR) | 2009-01-08 | — | — | US | claimed |
| CN-1984759-A | Compartmentalized resin pellets | M & G POLIMERI ITALIA SPA (IT) | 2007-06-20 | — | — | CN | claimed |
| US-20050225927-A1 | Processes for the production of niobium oxides with controlled tantalum content and capacitors made therefrom | CBMM - COMPANHIA BRASILEIRA DE METALURGIA E MINERACAO (BR) | 2005-10-13 | — | — | US | claimed |
| US-5985486-A | MULTILAYER ELECTROCHEMICAL DEVICE WITH IONS | SAINT-GOBAIN VITRAGE (FR) | 1999-11-16 | — | — | US | claimed |
| EP-0674943-B1 | Hydrated tantalumoxide or niobiumoxide catalysts, their preparation and process for preparing N-alkylated anilines therewith | BAYER AG (DE) | 1998-09-16 | — | — | EP | claimed |
| US-5721182-A | INTERMEDIATES FOR ELECTROCERAMICS | H.C. STARCK, GMBH & CO KG (DE) | 1998-02-24 | — | — | US | claimed |
| US-5666771-A | Electrochromic glazing pane | SAINT-GOBAIN VITRAGE (FR) | 1997-09-16 | — | — | US | claimed |
| US-5593936-A | Hydrated niobium oxide and hydrated tantalum oxide catalysts, their preparation and a process for preparing N-alkylated anilines using these catalysts | BAYER AKTIENGESELLSCHAFT (DE) | 1997-01-14 | — | — | US | claimed |
| CN-1130155-A | Metal niobates and/or tanlatates, their preparation and perovskites formed from them | STARCK H C GMBH CO KG (DE) | 1996-09-04 | — | — | CN | claimed |
| CN-1128733-A | Production of hydrated tantalum oxide and/or niobium oxide and tantalates and/or niobates produced | STARCK H C GMBH CO KG (DE) | 1996-08-14 | — | — | CN | claimed |