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 SCHEMBL29519890 | 0.91 | — | — | |
| Water SCHEMBL29566080 | 0.91 | — | — | |
| Water SCHEMBL30002939 | 0.91 | — | — | |
| Water SCHEMBL28031605 | 0.91 | — | — | |
| Water SCHEMBL8718700 | 0.83 | — | — | |
| Magnesium SCHEMBL31048699 | 0.83 | — | — | |
| Water SCHEMBL28927947 | 0.83 | — | — | |
| Water SCHEMBL9446657 | 0.83 | — | — | |
| Water SCHEMBL9491103 | 0.83 | — | — | |
| SCHEMBL31106191 | 0.83 | — | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9144790-B2 | Process for the conversion of ethane to aromatic hydrocarbons | SHELL OIL COMPANY (US) | 2015-09-29 | — | — | US | claimed |
| US-8946107-B2 | Process for the conversion of ethane to aromatic hydrocarbons | SHELL OIL COMPANY (US) | 2015-02-03 | — | — | US | claimed |
| US-8871990-B2 | Process for the conversion of ethane to aromatic hydrocarbons | SHELL OIL COMPANY (US) | 2014-10-28 | — | — | US | claimed |
| US-20140315710-A1 | PROCESS FOR THE CONVERSION OF LOWER ALKANES TO AROMATIC HYDROCARBONS | SHELL OIL COMPANY | 2014-10-23 | — | — | US | claimed |
| US-20140256536-A1 | PROCESS FOR THE CONVERSION OF ETHANE TO AROMATIC HYDROCARBONS | SHELL OIL COMPANY (US) | 2014-09-11 | — | — | US | claimed |
| US-8809608-B2 | Process for the conversion of lower alkanes to aromatic hydrocarbons | SHELL OIL COMPANY (US) | 2014-08-19 | — | — | US | claimed |
| US-8772563-B2 | Process for the conversion of ethane to aromatic hydrocarbons | SHELL OIL COMPANY (US) | 2014-07-08 | — | — | US | claimed |
| US-20140155258-A1 | PROCESS FOR THE CONVERSION OF ETHANE TO AROMATIC HYDROCARBONS | SHELL OIL COMPANY (US) | 2014-06-05 | — | — | US | claimed |
| US-20110021853-A1 | PROCESS FOR THE CONVERSION OF ETHANE TO AROMATIC HYDROCARBONS | SHELL OIL COMPANY | 2011-01-27 | — | — | US | claimed |
| US-20100048969-A1 | PROCESS FOR THE CONVERSION OF LOWER ALKANES TO AROMATIC HYDROCARBONS | SHELL OIL COMPANY | 2010-02-25 | — | — | US | claimed |
| US-20090209795-A1 | PROCESS FOR THE CONVERSION OF ETHANE TO AROMATIC HYDROCARBONS | SHELL OIL COMPANY | 2009-08-20 | — | — | US | claimed |
| US-20090209794-A1 | PROCESS FOR THE CONVERSION OF ETHANE TO AROMATIC HYDROCARBONS | SHELL USA, INC. | 2009-08-20 | — | — | US | claimed |
| US-20220396535-A1 | METHOD FOR AROMATIZATION OF LOWER HYDROCARBONS TO PRODUCE BENZENE AND OTHER AROMATICS | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2022-12-15 | — | — | US | disclosed |
| US-10814316-B2 | Catalytic process for co-production of benzene, ethylene, and hydrogen | SHELL OIL COMPANY (US) | 2020-10-27 | — | — | US | disclosed |
| US-20200078778-A1 | A CATALYTIC PROCESS FOR CO-PRODUCTION OF BENZENE, ETHYLENE, AND HYDROGEN | SHELL USA, INC. | 2020-03-12 | — | — | US | disclosed |
| US-9861967-B2 | Dehydroaromatization catalyst, method of making and use thereof | SHELL OIL COMPANY | 2018-01-09 | — | — | US | disclosed |
| US-20110021853-A1 | PROCESS FOR THE CONVERSION OF ETHANE TO AROMATIC HYDROCARBONS | SHELL OIL COMPANY | 2011-01-27 | — | — | US | disclosed |
| US-20100048969-A1 | PROCESS FOR THE CONVERSION OF LOWER ALKANES TO AROMATIC HYDROCARBONS | SHELL OIL COMPANY | 2010-02-25 | — | — | US | disclosed |
| US-20090209794-A1 | PROCESS FOR THE CONVERSION OF ETHANE TO AROMATIC HYDROCARBONS | SHELL USA, INC. | 2009-08-20 | — | — | US | disclosed |
| US-20090209795-A1 | PROCESS FOR THE CONVERSION OF ETHANE TO AROMATIC HYDROCARBONS | SHELL OIL COMPANY | 2009-08-20 | — | — | US | disclosed |