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 SCHEMBL28212635 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL11413422 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL27614972 | 0.91 | — | — | |
| SCHEMBL51759 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL2019243 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL1357155 | 0.80 | — | — | |
| SCHEMBL8008211 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL11261565 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL6699113 | 0.80 | — | — | |
| Hydrogen Sulfide SCHEMBL28273184 | 0.80 | — | — |
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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117756684-A | Synthesis method of 2-methyl-3- (trifluoromethyl) benzenesulfonamide | 武汉誉祥医药科技有限公司 | 2024-03-26 | — | — | CN | claimed |
| CN-113289645-B | One-dimensional self-assembly composite photocatalyst and preparation method and application thereof | 淮北师范大学 | 2022-03-25 | — | — | CN | claimed |
| CN-113318758-B | Photocatalyst and preparation method and application thereof | 淮北师范大学 | 2022-02-25 | — | — | CN | claimed |
| CN-113318758-A | Photocatalyst and preparation method and application thereof | 淮北师范大学 | 2021-08-31 | — | — | CN | claimed |
| CN-113289645-A | One-dimensional self-assembly composite photocatalyst and preparation method and application thereof | 淮北师范大学 | 2021-08-24 | — | — | CN | claimed |
| CN-111218813-A | Preparation method of graphene-PET composite fiber | 启东茂材实业有限公司 | 2020-06-02 | — | — | CN | claimed |
| CN-106807404-B | A kind of preparation method and applications of base metal base carbon coating nickel sulfide photochemical catalyst | 合肥工业大学 | 2019-07-19 | — | — | CN | claimed |
| CN-105669977-B | Photoelectric material, preparation method thereof and application thereof in organic electronic device | 华南理工大学 | 2018-06-29 | — | — | CN | claimed |
| CN-106604482-B | A kind of preparation method of AC electroluminescence device | 东莞市联洲知识产权运营管理有限公司 | 2018-06-12 | — | — | CN | claimed |
| CN-106807404-A | A kind of preparation method and applications of base metal base carbon coating nickel sulfide photochemical catalyst | 合肥工业大学 | 2017-06-09 | — | — | CN | claimed |
| CN-106604482-A | Preparation method for AC electroluminescence device | 东莞市联洲知识产权运营管理有限公司 | 2017-04-26 | — | — | CN | claimed |
| CN-103397189-B | A kind of method of recover silver and other metal from Oily wastewater | GUANGDONG BRUNP RECYCLING TECHNOLOGY CO., LTD. (CN) | 2015-09-30 | — | — | CN | claimed |
| CN-104237348-A | Electrochemical sensor based on graphene modified electrodes | WUXI BAILING SENSING TECHNOLOGY CO LTD | 2014-12-24 | — | — | CN | claimed |
| CN-103397189-A | Method for recovering silver or other metals from silver-containing wastes | GUANGDONG BRUNP RECYCLING TECHNOLOGY CO LTD | 2013-11-20 | — | — | CN | claimed |
| CN-100519512-C | Prepn process of 2-[2-(2,2,2-trifluoro ethoxy)] phenoxy ethamine | UNIV CHINA PHARMA (CN) | 2009-07-29 | — | — | CN | claimed |
| CN-101066930-A | Prepn process of 2-[2-(2,2,2-trifluoro ethoxy)] phenoxy ethamine | UNIV CHINA PHARMACY (CN) | 2007-11-07 | — | — | CN | claimed |
| CN-117756684-A | Synthesis method of 2-methyl-3- (trifluoromethyl) benzenesulfonamide | 武汉誉祥医药科技有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-117285459-B | Preparation method of small molecule kinase inhibitor compound | 上海美迪西生物医药股份有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-1017123-B | PREPN. OF ULTRAFINE TRNGSTEN POWDER | CHEMICAL METALLURGY INST CAS (CN) | 1992-06-24 | — | — | CN | disclosed |
| CN-1051133-A | The preparation method of ultrafine tungsten powder | CHEMICAL METALLURGY INST CAS (CN) | 1991-05-08 | — | — | CN | disclosed |