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 SCHEMBL2553493 | 1.00 | — | — | |
| Water SCHEMBL25293755 | 1.00 | — | — | |
| Water SCHEMBL29048580 | 1.00 | — | — | |
| Water SCHEMBL25293610 | 1.00 | — | — | |
| Fluoride Ion SCHEMBL29277877 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL180933 | 0.82 | — | — | |
| Water SCHEMBL31656559 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL1618086 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL8342100 | 0.67 | — | — | |
| Water SCHEMBL96825 | 0.67 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117019187-A | Method for preparing heterogeneous ion modified two-dimensional high-entropy alloy catalyst by heat collection strategy | 北京邮电大学 | 2023-11-10 | — | — | CN | claimed |
| CN-116654984-A | Method for preparing asymmetric electron spin density metal-based functional materials in batches | 北京邮电大学 | 2023-08-29 | — | — | CN | claimed |
| CN-116261436-A | Ceramic coloring solution for dentistry | 可乐丽则武齿科株式会社 | 2023-06-13 | — | — | CN | claimed |
| CN-110508299-B | Method for preparing two-dimensional local oxidation transition metal fluoride catalyst by rapid temperature rise | 北京邮电大学 | 2022-04-19 | — | — | CN | claimed |
| CN-120157190-A | Preparation method of cobalt-based metal compound nano particles | 沈阳化工大学 | 2025-06-17 | — | — | CN | disclosed |
| CN-118510479-A | Dental alumina pre-sintered body for forming highly translucent alumina sintered body | 可乐丽则武齿科株式会社 | 2024-08-16 | — | — | CN | disclosed |
| CN-117019187-A | Method for preparing heterogeneous ion modified two-dimensional high-entropy alloy catalyst by heat collection strategy | 北京邮电大学 | 2023-11-10 | — | — | CN | disclosed |
| CN-111349004-B | Crystal material, preparation method and application thereof, positive electrode material of potassium ion battery and potassium ion battery comprising positive electrode material | 深圳先进技术研究院 | 2023-09-15 | — | — | CN | disclosed |
| CN-116654984-A | Method for preparing asymmetric electron spin density metal-based functional materials in batches | 北京邮电大学 | 2023-08-29 | — | — | CN | disclosed |
| WO-2023127562-A1 | DENTAL-USE ALUMINA PRE-SINTERED BODY THAT BECOMES HIGHLY TRANSLUCENT ALUMINA SINTERED BODY | クラレノリタケデンタル株式会社 | 2023-07-06 | — | — | WO | disclosed |
| CN-116261434-A | Ceramic coloring solution for dentistry | 可乐丽则武齿科株式会社 | 2023-06-13 | — | — | CN | disclosed |
| CN-116261436-A | Ceramic coloring solution for dentistry | 可乐丽则武齿科株式会社 | 2023-06-13 | — | — | CN | disclosed |
| CN-110508299-B | Method for preparing two-dimensional local oxidation transition metal fluoride catalyst by rapid temperature rise | 北京邮电大学 | 2022-04-19 | — | — | CN | disclosed |
| US-8211820-B2 | Catalyst composition, and process for production of cross-coupling compound using the same | KYOTO UNIVERSITY (JP) | 2012-07-03 | — | — | US | disclosed |
| US-20100094018-A1 | CATALYST COMPOSITION, AND PROCESS FOR PRODUCTION OF CROSS-COUPLING COMPOUND USING THE SAME | KYOTO UNIVERSITY (JP) | 2010-04-15 | — | — | US | disclosed |
| US-20050069475-A1 | Presequesting impurities in fluid; complexing water, ammonia; reduction concentration in electrolytic cells; lithium battery | FLUORINE ON CALL, LTD. | 2005-03-31 | — | — | US | disclosed |