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 SCHEMBL27776991 | 0.91 | — | — | |
| Water SCHEMBL1515686 | 0.91 | — | — | |
| Water SCHEMBL28499685 | 0.89 | — | — | |
| Water SCHEMBL220104 | 0.89 | — | — | |
| Water SCHEMBL15572 | 0.89 | — | — | |
| Water SCHEMBL8678867 | 0.89 | — | — | |
| SCHEMBL407707 | 0.89 | — | — | |
| Water SCHEMBL2838869 | 0.89 | — | — | |
| Water SCHEMBL3793706 | 0.89 | — | — | |
| SCHEMBL7027079 | 0.80 | — | — |
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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101820997-B | Catalyst composition | BASF CATALYSTS LLC | 2013-07-24 | — | — | CN | claimed |
| CN-103201032-A | With improved NH3Catalyst for forming active gasoline lean-burn engine | BASF SE | 2013-07-10 | — | — | CN | claimed |
| CN-103189138-A | Catalyst for gasoline lean burn engines with improved no oxidation activity | BASF SE | 2013-07-03 | — | — | CN | claimed |
| CN-103097021-A | NOx storage catalyst with reduced Rh loading | BASF SE | 2013-05-08 | — | — | CN | claimed |
| CN-103055858-A | Multilayered three-way conversion catalyst compositions | BASF CATALYSTS LLC | 2013-04-24 | — | — | CN | claimed |
| CN-103052444-A | Nox storage catalyst with improved hydrocarbon conversion activity | BASF SE | 2013-04-17 | — | — | CN | claimed |
| CN-101610844-B | NOx storage materials and traps resistant to thermal aging | BASF CATALYSTS LLC | 2013-03-20 | — | — | CN | claimed |
| CN-102711987-A | Small engine layered catalyst article and method of making | BASF CORP | 2012-10-03 | — | — | CN | claimed |
| CN-101652174-B | Multilayer three-way conversion catalyst composition | BASF CATALYSTS LLC | 2012-09-19 | — | — | CN | claimed |
| CN-102574056-A | Waste gas treatment system of gasoline engine | BASF SE | 2012-07-11 | — | — | CN | claimed |
| CN-102369058-A | Diesel oxidation catalyst with layer structure for improved hydrocarbon conversion | BASF CATALYSTS LLC | 2012-03-07 | — | — | CN | claimed |
| CN-102355951-A | Layered diesel oxidation catalyst composites | BASF CATALYSTS LLC | 2012-02-15 | — | — | CN | claimed |
| CN-101652174-A | Multilayer three-way conversion catalyst composition | BASF CATALYSTS LLC US | 2010-02-17 | — | — | CN | claimed |
| CN-110678630-B | On-board ammonia and hydrogen generation | 巴斯夫公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-110292926-A | Oxidation catalyst for treating exhaust gases of compression ignition engines | 庄信万丰股份有限公司 | 2019-10-01 | — | — | CN | disclosed |
| CN-104797335-B | Oxidation catalyst for treating exhaust gases of compression ignition engines | 庄信万丰股份有限公司 | 2019-06-28 | — | — | CN | disclosed |
| WO-1991004236-A1 | HIGH ETHYLENE TO ETHANE PROCESSES FOR OXIDATIVE COUPLING | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) | 1991-04-04 | — | — | WO | disclosed |
| WO-1991004241-A1 | STRONTIUM AND/OR BARIUM-CONTAINING CATALYSTS FOR OXIDATIVE COUPLING PROCESSES | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) | 1991-04-04 | — | — | WO | disclosed |
| EP-0418971-A1 | High ethylene to ethane processes for oxidative coupling | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) | 1991-03-27 | — | — | EP | disclosed |
| EP-0418972-A1 | Strontium and/or barium-containing catalysts for oxidative coupling processes | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) | 1991-03-27 | — | — | EP | disclosed |