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 SCHEMBL28222698 | 1.00 | — | — | |
| Water SCHEMBL522344 | 1.00 | — | — | |
| Water SCHEMBL10832960 | 0.87 | — | — | |
| Water SCHEMBL28379372 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL27369524 | 0.87 | — | — | |
| Water SCHEMBL28475535 | 0.87 | — | — | |
| Water SCHEMBL5373511 | 0.87 | — | — | |
| Water SCHEMBL28875580 | 0.87 | — | — | |
| Water SCHEMBL10832958 | 0.87 | — | — | |
| Water SCHEMBL17102395 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107778618-A | Antibacterial impact PE feed pipes and its production method | 广西金滩管业科技有限公司 | 2018-03-09 | — | — | CN | claimed |
| JP-56026808-A | — | — | None | — | — | JP | disclosed |
| JP-56020505-A | — | — | None | — | — | JP | disclosed |
| CN-107778618-A | Antibacterial impact PE feed pipes and its production method | 广西金滩管业科技有限公司 | 2018-03-09 | — | — | CN | disclosed |
| US-8016935-B2 | Ferrite based for paint; derived from hydrometallurgical purification of process dust from carbon steel; CaO in ferrite is reacts with humid air, water to raise ph; form protective hydroxide phase, portlandite; antifouling formulation applied to submerged structure | FERRINOV INC. | 2011-09-13 | — | — | US | disclosed |
| US-20080196619-A1 | Anti-Corrosion Pigments Coming Form Dust Of An Electric Arc Furnace And Containing Sacrificial Calcum | FERRINOV INC. | 2008-08-21 | — | — | US | disclosed |
| EP-1899425-A1 | ANTI-CORROSION PIGMENTS COMING FROM DUST OF AN ELECTIC ARC FURNACE AND CONTAINING SACRIFICIAL CALCIUM | Ferrinov Inc. (CA) | 2008-03-19 | — | — | EP | disclosed |
| WO-2006133575-A1 | ANTI-CORROSION PIGMENTS COMING FROM DUST OF AN ELECTIC ARC FURNACE AND CONTAINING SACRIFICIAL CALCIUM | FERRINOV INC. (CA) | 2006-12-21 | — | — | WO | disclosed |
| US-4384972-A | Foodstuff freshness keeping agents | TOPPAN PRINTING CO., LTD. (JP) | 1983-05-24 | — | — | US | disclosed |
| JP-S5626808-A | DENTAL CEMENT COMPOSITION | MITSUBISHI MINING & CEMENT CO LTD | 1981-03-16 | — | — | JP | disclosed |
| JP-S5620505-A | DENTAL EUGENOL CEMENT | MITSUBISHI MINING & CEMENT CO LTD | 1981-02-26 | — | — | JP | disclosed |