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 SCHEMBL28450648 | 1.00 | — | — | |
| Water SCHEMBL22800798 | 0.87 | — | — | |
| Water SCHEMBL22127735 | 0.87 | — | — | |
| Water SCHEMBL22715339 | 0.87 | — | — | |
| Water SCHEMBL29014308 | 0.87 | — | — | |
| Water SCHEMBL8745540 | 0.82 | — | — | |
| Water SCHEMBL2299753 | 0.82 | — | — | |
| Water SCHEMBL8153667 | 0.82 | — | — | |
| SCHEMBL7198854 | 0.82 | — | — | |
| Water SCHEMBL8477073 | 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102249342-B | Method for producing potassium manganite or sodium manganate | UNIV BEIJING SCIENCE & TECH | 2013-01-30 | — | — | CN | claimed |
| CN-102249342-A | Method for producing potassium manganite or sodium manganate | UNIV BEIJING SCIENCE & TECH | 2011-11-23 | — | — | CN | claimed |
| CN-118079953-A | Birnessite-sulfite photocatalyst and application thereof | 江西农业大学 | 2024-05-28 | — | — | CN | disclosed |
| CN-118005225-A | Multistage ecological purification system and purification method | 河南省生态环境技术中心 | 2024-05-10 | — | — | CN | disclosed |
| CN-117985846-A | Demanganization device and demanganization method for solid bed type ceramic membrane bioreactor for dispersing birnessite by high-pressure gas | 广东工业大学 | 2024-05-07 | — | — | CN | disclosed |
| CN-113061932-B | Catalyst and use thereof | 北京大学深圳研究生院 | 2022-09-27 | — | — | CN | disclosed |
| CN-114956198-A | P3 phase sodium manganese oxide material and preparation method and application thereof | 郭珺 | 2022-08-30 | — | — | CN | disclosed |
| CN-113683152-A | Method for removing oxytetracycline in water body by utilizing alkali modified manganese-doped charcoal adsorption | 合肥工业大学 | 2021-11-23 | — | — | CN | disclosed |
| CN-113443651-A | Controllable synthesis method of hexagonal birnessite nanoflower | 云南农业大学 | 2021-09-28 | — | — | CN | disclosed |
| CN-113181928-A | Modification method of iron-doped birnessite, modified iron-doped birnessite and application of modified iron-doped birnessite | 北京碧水源科技股份有限公司 | 2021-07-30 | — | — | CN | disclosed |
| CN-102249342-B | Method for producing potassium manganite or sodium manganate | UNIV BEIJING SCIENCE & TECH | 2013-01-30 | — | — | CN | disclosed |
| CN-102249342-A | Method for producing potassium manganite or sodium manganate | UNIV BEIJING SCIENCE & TECH | 2011-11-23 | — | — | CN | disclosed |
| US-5030437-A | Selenide and/or sulfide salt mixture; sweetening natural gas | BUDRA RESEARCH LTD. (CA) | 1991-07-09 | — | — | US | disclosed |