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 SCHEMBL27467509 | 0.98 | TSHR (0.69) | — | |
| SCHEMBL14982 | 0.98 | — | — | |
| SCHEMBL30074662 | 0.98 | TSHR (0.75) | — | |
| Fluoride SCHEMBL31484744 | 0.95 | — | — | |
| Lithium SCHEMBL31602240 | 0.95 | — | — | |
| Potassium SCHEMBL31216415 | 0.95 | — | — | |
| Hydrogen Sulfide SCHEMBL12537994 | 0.95 | — | — | |
| SCHEMBL2546168 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL22686891 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL15846411 | 0.95 | — | — |
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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109081948-A | A kind of solid sphere material of hydrophily, preparation method and applications | 中国科学院宁波工业技术研究院慈溪生物医学工程研究所 | 2018-12-25 | — | — | CN | claimed |
| CN-104841012-B | A kind of preparation method of imitative cartilage cell epimatrix injection aquagel | 武汉纺织大学 | 2017-03-29 | — | — | CN | claimed |
| CN-104841012-A | Preparation method for imitation chondrocyte epimatrix injectable hydrogel | UNIV WUHAN TEXTILE | 2015-08-19 | — | — | CN | claimed |
| CN-103191437-B | Preparation method of controlled release carrier of glucose-responsive drug | UNIV CHANGZHOU | 2015-03-11 | — | — | CN | claimed |
| CN-103191437-A | Preparation method of controlled release carrier of glucose-responsive drug | UNIV CHANGZHOU | 2013-07-10 | — | — | CN | claimed |
| CN-101084000-B | External skin agent comprising modified clay for preventing inflammation | POLA CHEM IND INC | 2011-11-16 | — | — | CN | claimed |
| CN-101855010-A | Colloidal dispersion of inorganic particles in a liquid phase comprising an amphiphilic copolymer | RHODIA OPERATIONS | 2010-10-06 | — | — | CN | claimed |
| CN-101084000-A | External skin agent comprising modified clay for preventing inflammation | POLA CHEM IND INC (JP) | 2007-12-05 | — | — | CN | claimed |
| CN-109081948-A | A kind of solid sphere material of hydrophily, preparation method and applications | 中国科学院宁波工业技术研究院慈溪生物医学工程研究所 | 2018-12-25 | — | — | CN | disclosed |
| CN-108601716-A | Gel/gel-type composition based on pigments coated with hydrophobic substances and liquid fatty acid and/or diol compounds | 莱雅公司 | 2018-09-28 | — | — | CN | disclosed |
| CN-108024920-A | Include the liquid cosmetic composition and lip processing method of high non-volatile oil content | 莱雅公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-107974205-A | A kind of low smell two-component acrylicester glue of quick surface drying | 武汉双键开姆密封材料有限公司 | 2018-05-01 | — | — | CN | disclosed |
| CN-107955173-A | A kind of new concrete defoamer and its synthetic method | 中建西部建设北方有限公司 | 2018-04-24 | — | — | CN | disclosed |
| CN-107614551-A | Copolymer | 宝丽化学工业有限公司 | 2018-01-19 | — | — | CN | disclosed |
| CN-1458938-A | Polymerizable composition | TOYO INK MFG CO (JP) | 2003-11-26 | — | — | CN | disclosed |
| CN-1330729-A | Hydrophilizing agent for metal material, hydrophilizing treatment liquid, hydrophilizing treatment method, metal material, and heat exchanger | NIHON PARKERIZING (JP) | 2002-01-09 | — | — | CN | disclosed |
| CN-1045177-C | Penetrating treatment composition for porous substrates having improved durability and water repellency | ROHM & HAAS (US) | 1999-09-22 | — | — | CN | disclosed |
| CN-1143203-A | Image forming method | MITA INDUSTRIAL CO LTD (JP) | 1997-02-19 | — | — | CN | disclosed |
| CN-1140267-A | Toner for two-component developer | MITA INDUSTRIAL CO LTD (JP) | 1997-01-15 | — | — | CN | disclosed |
| CN-1035313-A | Improve porous substrate weather resistance and hydrophobic nature osmotic treated composition | ROHM & HAAS (US) | 1989-09-06 | — | — | CN | disclosed |