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 SCHEMBL3751176 | 1.00 | — | — | |
| Water SCHEMBL27529 | 1.00 | — | — | |
| Water SCHEMBL3890263 | 1.00 | — | — | |
| Water SCHEMBL1562013 | 1.00 | — | — | |
| Water SCHEMBL22288080 | 1.00 | — | — | |
| Water SCHEMBL608426 | 1.00 | — | — | |
| Water SCHEMBL10490222 | 1.00 | — | — | |
| Water SCHEMBL3181554 | 1.00 | — | — | |
| Water SCHEMBL11265262 | 1.00 | — | — | |
| Water SCHEMBL2036070 | 1.00 | — | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106881148-A | A kind of honeycomb fashion temperature denitrating catalyst wide and preparation method thereof | 国家电投集团远达环保催化剂有限公司 | 2017-06-23 | — | — | CN | claimed |
| EP-0865412-B1 | CERIUM OXIDE WITH PORES HAVING A LAMELLAR STRUCTURE, PREPARATION METHOD THEREFOR AND USE THEREOF IN CATALYSIS | RHODIA CHIMIE SA (FR) | 2003-09-03 | — | — | EP | claimed |
| JP-3321176-B2 | — | — | 2002-09-03 | — | — | JP | claimed |
| EP-0865412-A1 | CERIUM OXIDE WITH PORES HAVING A LAMELLAR STRUCTURE, PREPARATION METHOD THEREFOR AND USE THEREOF IN CATALYSIS | RHODIA CHIMIE (FR) | 1998-09-23 | — | — | EP | claimed |
| WO-1997020772-A1 | CERIUM OXIDE WITH PORES HAVING A LAMELLAR STRUCTURE, PREPARATION METHOD THEREFOR AND USE THEREOF IN CATALYSIS | RHODIA CHIMIE (FR) | 1997-06-12 | — | — | WO | claimed |
| CN-107185567-B | A kind of nickel system selective hydrocatalyst and preparation method thereof | 钦州学院 | 2019-05-17 | — | — | CN | disclosed |
| CN-107159283-B | A kind of method of cracking c5-C9 fraction selective hydrogenation | 钦州学院 | 2019-05-17 | — | — | CN | disclosed |
| CN-107057757-B | A kind of method of one-stage selective hydrogenation of gasoline splitting | 钦州学院 | 2018-10-02 | — | — | CN | disclosed |
| CN-107185567-A | A kind of nickel system selective hydrocatalyst and preparation method thereof | 钦州学院 | 2017-09-22 | — | — | CN | disclosed |
| CN-107159283-A | A kind of method of cracking c5 C9 cut selective hydrogenations | 钦州学院 | 2017-09-15 | — | — | CN | disclosed |
| CN-107057757-A | A kind of method of one-stage selective hydrogenation of gasoline splitting | 钦州学院 | 2017-08-18 | — | — | CN | disclosed |
| CN-106881148-A | A kind of honeycomb fashion temperature denitrating catalyst wide and preparation method thereof | 国家电投集团远达环保催化剂有限公司 | 2017-06-23 | — | — | CN | disclosed |
| WO-2013024261-A1 | METHOD OF MAKING ALCOHOLS | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) | 2013-02-21 | — | — | WO | disclosed |
| US-20100298129-A1 | SELECTIVE NICKEL BASED HYDROGENATION CATALYST AND THE PREPARATION THEREOF | PETROCHINA COMPANY LIMITED (CN) | 2010-11-25 | — | — | US | disclosed |
| EP-0865412-B1 | CERIUM OXIDE WITH PORES HAVING A LAMELLAR STRUCTURE, PREPARATION METHOD THEREFOR AND USE THEREOF IN CATALYSIS | RHODIA CHIMIE SA (FR) | 2003-09-03 | — | — | EP | disclosed |
| EP-0865412-B1 | CERIUM OXIDE WITH PORES HAVING A LAMELLAR STRUCTURE, PREPARATION METHOD THEREFOR AND USE THEREOF IN CATALYSIS | RHODIA CHIMIE SA (FR) | 2003-09-03 | — | — | EP | disclosed |
| EP-0865412-A1 | CERIUM OXIDE WITH PORES HAVING A LAMELLAR STRUCTURE, PREPARATION METHOD THEREFOR AND USE THEREOF IN CATALYSIS | RHODIA CHIMIE (FR) | 1998-09-23 | — | — | EP | disclosed |
| EP-0865412-A1 | CERIUM OXIDE WITH PORES HAVING A LAMELLAR STRUCTURE, PREPARATION METHOD THEREFOR AND USE THEREOF IN CATALYSIS | RHODIA CHIMIE (FR) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997020772-A1 | CERIUM OXIDE WITH PORES HAVING A LAMELLAR STRUCTURE, PREPARATION METHOD THEREFOR AND USE THEREOF IN CATALYSIS | RHODIA CHIMIE (FR) | 1997-06-12 | — | — | WO | disclosed |
| WO-1997020772-A1 | CERIUM OXIDE WITH PORES HAVING A LAMELLAR STRUCTURE, PREPARATION METHOD THEREFOR AND USE THEREOF IN CATALYSIS | RHODIA CHIMIE (FR) | 1997-06-12 | — | — | WO | disclosed |