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 SCHEMBL11388551 | 1.00 | — | — | |
| Water SCHEMBL21980711 | 1.00 | — | — | |
| Water SCHEMBL5507851 | 1.00 | — | — | |
| Water SCHEMBL23364121 | 0.82 | — | — | |
| Water SCHEMBL18545 | 0.82 | — | — | |
| Water SCHEMBL9655782 | 0.82 | — | — | |
| Water SCHEMBL23209776 | 0.82 | — | — | |
| Water SCHEMBL5455356 | 0.82 | — | — | |
| Water SCHEMBL20993977 | 0.82 | — | — | |
| Water SCHEMBL21056037 | 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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103524514-A | Preparation method for (3aS,6aR)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione | NORTHEAST PHARMACEUTICAL GROUP CO LTD | 2014-01-22 | — | — | CN | claimed |
| EP-0641814-B1 | Process for the regeneration of a catalyst from polyalkylene polyols | MITSUI CHEMICALS INC (JP) | 2000-03-15 | — | — | EP | claimed |
| US-5545712-A | Preparation process for polyoxyalkylene polyol | MITSU TOATSU CHEMICALS, INC. (JP) | 1996-08-13 | — | — | US | claimed |
| US-5468840-A | Preparation process of polyoxyalkylene polyols and process of alkylene oxide recovery | MITSUI TOATSU CHEMICALS, INC. (JP) | 1995-11-21 | — | — | US | claimed |
| EP-0641814-A1 | Process for the regeneration of a catalyst from polyalkylene polyols | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1995-03-08 | — | — | EP | claimed |
| CN-117756609-B | Preparation method of 3-methyl phenetole | 万华化学集团股份有限公司 | 2025-02-18 | — | — | CN | disclosed |
| US-12046756-B2 | Cellulose derivative composition for secondary battery binder and method of preparing composition for secondary battery electrode comprising the same | ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) | 2024-07-23 | — | — | US | disclosed |
| CN-118292105-A | Multifunctional inorganic compound crystal and preparation method and application thereof | 中国科学院福建物质结构研究所 | 2024-07-05 | — | — | CN | disclosed |
| CN-118048686-A | Birefringent crystal material, method of making, and optical device | 北京师范大学 | 2024-05-17 | — | — | CN | disclosed |
| CN-117756609-A | Preparation method of 3-methyl phenetole | 万华化学集团股份有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-117187955-A | Inorganic multifunctional crystal and preparation method and application thereof | 中国科学院福建物质结构研究所 | 2023-12-08 | — | — | CN | disclosed |
| CN-116532090-A | Natural gas purification material, preparation method and purification process thereof | 昆山市恒安工业气体有限公司 | 2023-08-04 | — | — | CN | disclosed |
| EP-0108486-B1 | PREPARATION OF ZEOLITES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-02-17 | — | — | EP | disclosed |
| US-4705674-A | Synthesis of zeolite EU-13 from a reaction mixture containing tetramethylammonium compound | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-11-10 | — | — | US | disclosed |
| EP-0105679-B1 | ZEOLITES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-06-16 | — | — | EP | disclosed |
| US-4581211-A | METHANOL-TO-HYDROCARBONS CONVERSION CATALYSTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-04-08 | — | — | US | disclosed |
| EP-0077624-B1 | ZEOLITE SYNTHESIS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-03-12 | — | — | EP | disclosed |
| EP-0108486-A1 | Preparation of zeolites | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-05-16 | — | — | EP | disclosed |
| EP-0105679-A2 | Zeolites | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-04-18 | — | — | EP | disclosed |
| EP-0077624-A2 | Zeolite synthesis | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-04-27 | — | — | EP | disclosed |