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 SCHEMBL1888571 | 1.00 | — | — | |
| Water SCHEMBL10587237 | 1.00 | — | — | |
| Water SCHEMBL1879987 | 1.00 | — | — | |
| Water SCHEMBL29688 | 1.00 | — | — | |
| Water SCHEMBL9056814 | 0.94 | — | — | |
| Water SCHEMBL923522 | 0.94 | — | — | |
| Water SCHEMBL924464 | 0.94 | — | — | |
| Water SCHEMBL222413 | 0.94 | — | — | |
| Water SCHEMBL11407416 | 0.94 | — | — | |
| Water SCHEMBL14150848 | 0.94 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3458426-B1 | BINDER BASED ON CALCIUM ALUMINOSILICATE DERIVATIVES FOR CONSTRUCTION MATERIALS. | SAINT GOBAIN WEBER (FR) | 2022-07-20 | — | — | EP | claimed |
| EP-3458426-A1 | BINDER BASED ON CALCIUM ALUMINOSILICATE DERIVATIVES FOR CONSTRUCTION MATERIALS. | Saint-Gobain Weber (FR) | 2019-03-27 | — | — | EP | claimed |
| CN-115180841-A | Alkali-activated titanium slag extraction cement and preparation method thereof | 西南科技大学 | 2022-10-14 | — | — | CN | disclosed |
| CN-115159875-A | Method for preparing composite cementing material by using tailings after extracting iron from multi-element solid wastes | 中铁建设集团建筑发展有限公司 | 2022-10-11 | — | — | CN | disclosed |
| CN-114180924-A | Cementing material for coal mine paste filling, preparation method thereof and coal mine filling paste | 徐州中矿大贝克福尔科技股份有限公司 | 2022-03-15 | — | — | CN | disclosed |
| CN-110526644-B | Inorganic composite material with low-carbon steel performance and preparation method thereof | 南京理工大学 | 2021-11-09 | — | — | CN | disclosed |
| CN-111409200-A | Control method for opening time of premixed concrete | 浙江广天构件股份有限公司 | 2020-07-14 | — | — | CN | disclosed |
| US-6841209-B2 | Fire protection containers incorporating novel low free-water insulation materials | FIREKING INTERNATIONAL, INC. (US) | 2005-01-11 | — | — | US | disclosed |
| US-20010048984-A1 | Fire protection containers incorporating novel low free-water insulation materials | FIRE KING INTERNATIONAL, LLC | 2001-12-06 | — | — | US | disclosed |
| US-5919424-A | EXTRACTING CALCIUM FROM AN AQUEOUS MIXTURE | THERMO FIBERGEN, INC. (US) | 1999-07-06 | — | — | US | disclosed |