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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28186979 | 0.96 | TDP1 (0.35) | — | |
| SCHEMBL215138 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL1801986 | 0.96 | — | — | |
| Bromide SCHEMBL3245759 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL28738290 | 0.92 | — | — | |
| Perchlorate SCHEMBL5056903 | 0.81 | — | — | |
| SCHEMBL8658077 | 0.77 | — | — | |
| SCHEMBL3893565 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL10350617 | 0.74 | — | — | |
| SCHEMBL11307688 | 0.74 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118022818-A | Isomerization method of o-cresol and catalyst used in isomerization method | 浙江新化化工股份有限公司 | 2024-05-14 | — | — | CN | claimed |
| EP-2482977-B1 | MIXED OXIDES OF TRANSITION METALS, HYDROTREATMENT CATALYSTS OBTAINED THEREFROM, AND PREPARATION PROCESS COMPRISING SOL-GEL PROCESSES | ENI SPA (IT) | 2020-07-15 | — | — | EP | disclosed |
| US-9975112-B2 | Mixed oxides of transition metals, hydrotreatment catalysts obtained therefrom, and preparation process comprising sol-gel processes | ENI S.P.A. (IT) | 2018-05-22 | — | — | US | disclosed |
| US-20160101410-A1 | MIXED OXIDES OF TRANSITION METALS, HYDROTREATMENT CATALYSTS OBTAINED THEREFROM, AND PREPARATION PROCESS COMPRISING SOL-GEL PROCESSES | ENI S.P.A. (IT) | 2016-04-14 | — | — | US | disclosed |
| US-9278339-B2 | Mixed oxides of transition metals, hydrotreatment catalysts obtained therefrom, and preparation process comprising sol-gel processes | ENI S.P.A. (IT) | 2016-03-08 | — | — | US | disclosed |
| US-20130101497-A1 | PROCESS FOR THE FORMATION OF FOLIATED FINE GRAPHITE PARTICLES | SHOWA DENKO K.K. (JP) | 2013-04-25 | — | — | US | disclosed |
| EP-2583942-A1 | Process for formation of foliated fine graphite particles | Showa Denko K.K. (JP) | 2013-04-24 | — | — | EP | disclosed |
| US-20120261311-A1 | MIXED OXIDES OF TRANSITION METALS, HYDROTREATMENT CATALYSTS OBTAINED THEREFROM, AND PREPARATION PROCESS COMPRISING SOL-GEL PROCESSES | ENI S.P.A. (IT) | 2012-10-18 | — | — | US | disclosed |
| EP-2482977-A2 | MIXED OXIDES OF TRANSITION METALS, HYDROTREATMENT CATALYSTS OBTAINED THEREFROM, AND PREPARATION PROCESS COMPRISING SOL -GEL PROCESSES | ENI S.p.A. (IT) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011039595-A2 | MIXED OXIDES OF TRANSITION METAL, HYDROTREATMENT CATALYSTS OBTAINED THEREFROM, AND PREPARATION PROCESS COMPRISING SOL -GEL PROCESSES | ENI S.P.A. (IT) | 2011-04-07 | — | — | WO | disclosed |
| EP-0839151-A2 | PROCESS FOR THE PREPARATION OF ALKYL GLYCOSIDES | TECHNISCHE UNIVERSITEIT DELFT (NL) | 1998-05-06 | — | — | EP | disclosed |
| WO-1996036640-A2 | PROCESS FOR THE PREPARATION OF ALKYL GLYCOSIDES | TECHNISCHE UNIVERSITEIT DELFT (NL) | 1996-11-21 | — | — | WO | disclosed |
| US-4322536-A | Process for producing pyridinaldehydes | CIBA-GEIGY CORPORATION (US) | 1982-03-30 | — | — | US | disclosed |
| US-4237275-A | Process for producing hydrazone derivatives of pyridinaldehydes | CIBA-GEIGY CORPORATION (US) | 1980-12-02 | — | — | US | disclosed |