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 SCHEMBL10427634 | 0.87 | — | — | |
| Water SCHEMBL23668352 | 0.87 | — | — | |
| Water SCHEMBL28294686 | 0.87 | — | — | |
| Water SCHEMBL28754007 | 0.87 | — | — | |
| Water SCHEMBL1286304 | 0.82 | — | — | |
| Water SCHEMBL14230856 | 0.82 | — | — | |
| Water SCHEMBL60837 | 0.82 | — | — | |
| Water SCHEMBL21523875 | 0.82 | — | — | |
| Water SCHEMBL1669368 | 0.82 | — | — | |
| Water SCHEMBL9324921 | 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116510742-B | Preparation method and application of molybdenum-vanadium-oxygen cluster modified carbon-based ferric manganate composite catalyst | 济南大学 | 2024-08-23 | — | — | CN | claimed |
| CN-116510742-A | Preparation method and application of molybdenum-vanadium-oxygen cluster modified carbon-based ferric manganate composite catalyst | 济南大学 | 2023-08-01 | — | — | CN | claimed |
| CN-109705439-A | A kind of antiultraviolet fruit-vegetable plastic wrap, preparation method and the application in fruit-vegetable covering bag | 华南理工大学 | 2019-05-03 | — | — | CN | claimed |
| US-RE30430-E | Catalyst treatment | DENKA CHEMICAL CORPORATION (US) | 1980-11-04 | — | — | US | claimed |
| US-4006168-A | Catalyst treatment | PETRO-TEX CHEMICAL CORPORATION (US) | 1977-02-01 | — | — | US | claimed |
| JP-2109262-A | — | — | None | — | — | JP | disclosed |
| JP-63088754-A | — | — | None | — | — | JP | disclosed |
| CN-116510742-B | Preparation method and application of molybdenum-vanadium-oxygen cluster modified carbon-based ferric manganate composite catalyst | 济南大学 | 2024-08-23 | — | — | CN | disclosed |
| CN-116510742-B | Preparation method and application of molybdenum-vanadium-oxygen cluster modified carbon-based ferric manganate composite catalyst | 济南大学 | 2024-08-23 | — | — | CN | disclosed |
| CN-116510742-B | Preparation method and application of molybdenum-vanadium-oxygen cluster modified carbon-based ferric manganate composite catalyst | 济南大学 | 2024-08-23 | — | — | CN | disclosed |
| CN-118287118-A | Catalyst with function of preparing maleic anhydride by benzene oxidation and preparation method and application thereof | 中国石油化工股份有限公司 | 2024-07-05 | — | — | CN | disclosed |
| CN-117282451-A | Catalyst for preparing ethylene by oxidative dehydrogenation of ethane and preparation method and application thereof | 中国石油化工股份有限公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-101284242-B | Catalyst for producing maleic anhydrid(e) by benzene gas-phase oxidation with high load and high yield | TIANJIN TIANHUAN FINE CHEMICAL INDUSTRY INST | 2010-12-22 | — | — | CN | disclosed |
| CN-101284242-A | Catalyst for producing maleic anhydrid(e) by benzene gas-phase oxidation with high load and high yield | TIANJIN TIANHUAN FINE CHEMICAL (CN) | 2008-10-15 | — | — | CN | disclosed |
| US-5866499-A | Process for producing a catalyst | SIEMENS AKTIENGESELLSCHAFT (DE) | 1999-02-02 | — | — | US | disclosed |
| JP-H02109262-A | NONAQUEOUS ELECTROLYTE SECONDARY BATTERY | MATSUSHITA ELECTRIC IND CO LTD | 1990-04-20 | — | — | JP | disclosed |
| JP-S6388754-A | NONAQUEOUS ELECTROLYTE SECONDARY BATTERY | MATSUSHITA ELECTRIC IND CO LTD | 1988-04-19 | — | — | JP | disclosed |
| US-RE30430-E | Catalyst treatment | DENKA CHEMICAL CORPORATION (US) | 1980-11-04 | — | — | US | disclosed |
| US-4081460-A | IN SITU REGENERATION AND STABILIZATION OF CATALYST WITH A PHOSPHORUS COMPOUND | DENKA CHEMICAL CORPORATION (US) | 1978-03-28 | — | — | US | disclosed |
| US-4006168-A | Catalyst treatment | PETRO-TEX CHEMICAL CORPORATION (US) | 1977-02-01 | — | — | US | disclosed |