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 SCHEMBL28303297 | 1.00 | — | — | |
| Water SCHEMBL11749671 | 1.00 | — | — | |
| Water SCHEMBL29140207 | 1.00 | — | — | |
| Water SCHEMBL27352815 | 1.00 | — | — | |
| Water SCHEMBL19762 | 1.00 | — | — | |
| Water SCHEMBL453449 | 1.00 | — | — | |
| Water SCHEMBL23093704 | 0.82 | — | — | |
| Water SCHEMBL9722943 | 0.82 | — | — | |
| Methane SCHEMBL2579966 | 0.82 | — | — | |
| Water SCHEMBL1900085 | 0.82 | — | — |
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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105985301-A | Preparation method of vortioxetine hydrobromide | 山东康美乐医药科技有限公司 | 2016-10-05 | — | — | CN | claimed |
| CN-118204018-A | Two-step conversion preparation method of noble metal aerogel and electrocatalytic oxygen evolution application thereof | 北京理工大学 | 2024-06-18 | — | — | CN | disclosed |
| CN-114685288-B | Polycyclic aromatic amine organic compound and use thereof | 广州华睿光电材料有限公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-115667275-A | Boron-containing compounds and their use | 先声药业有限公司 | 2023-01-31 | — | — | CN | disclosed |
| WO-2021213358-A1 | BORON-CONTAINING COMPOUNDS AND APPLICATION THEREOF | 江苏先声药业有限公司 (CN) | 2021-10-28 | — | — | WO | disclosed |
| CN-106745345-B | The method that low temperature palladium compound hydrotropy palladium prepares palladium nitrate crystal | 郴州高鑫材料有限公司 | 2018-02-06 | — | — | CN | disclosed |
| CN-106745345-A | The method that low temperature palladium compound hydrotropy palladium prepares palladium nitrate crystal | 郴州高鑫材料有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-105985301-A | Preparation method of vortioxetine hydrobromide | 山东康美乐医药科技有限公司 | 2016-10-05 | — | — | CN | disclosed |
| CN-104854094-A | Fluoroalkyl dibenzodiazepinone compounds | BRISTOL MYERS SQUIBB CO | 2015-08-19 | — | — | CN | disclosed |
| US-7444820-B2 | Method and system for rich-lean catalytic combustion | UNITED TECHNOLOGIES CORPORATION (US) | 2008-11-04 | — | — | US | disclosed |
| US-5405260-A | Mixing oxygen containing gas with fuel, passing into combustion zone containing catalyst of palladium on zirconia coated aluminum-containing metallic catalyst support | CATALYTICA, INC. (US) | 1995-04-11 | — | — | US | disclosed |
| WO-1994019647-A1 | IMPROVED CATALYST CONFIGURATION FOR CATALYTIC COMBUSTION SYSTEMS | ENGELHARD CORPORATION (US) | 1994-09-01 | — | — | WO | disclosed |
| US-5326253-A | Partial combustion process and a catalyst structure for use in the process | CATALYTICA, INC. (US) | 1994-07-05 | — | — | US | disclosed |
| US-5259754-A | Stability, durability | CATALYTICA, INC. (US) | 1993-11-09 | — | — | US | disclosed |
| EP-0559844-A4 | PALLADIUM PARTIAL COMBUSTION CATALYSTS AND A PROCESS FOR USING THEM | — | 1993-11-03 | — | — | EP | disclosed |
| EP-0559844-A1 | PALLADIUM PARTIAL COMBUSTION CATALYSTS AND A PROCESS FOR USING THEM | CATALYTICA, INC. (US) | 1993-09-15 | — | — | EP | disclosed |
| CN-1064538-A | Palladium partial combustion catalyst and using method thereof | CATALYTICA INC (US) | 1992-09-16 | — | — | CN | disclosed |
| WO-1992009848-A1 | PALLADIUM PARTIAL COMBUSTION CATALYSTS AND A PROCESS FOR USING THEM | CATALYTICA, INC. (US) | 1992-06-11 | — | — | WO | disclosed |
| US-5066582-A | Contact with ph electrode; medical diagnosis | KURARAY CO., LTD. (JP) | 1991-11-19 | — | — | US | disclosed |
| EP-0329458-A2 | Method and apparatus for the measurement of analyte substances | KURARAY CO., LTD. (JP) | 1989-08-23 | — | — | EP | disclosed |