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 SCHEMBL7520503 | 1.00 | DNM1 (0.93) | — | |
| Water SCHEMBL11169370 | 1.00 | DNM1 (0.93) | — | |
| Tetradecylamine SCHEMBL238830 | 1.00 | DNM1 (0.93) | — | |
| Octadecylamine SCHEMBL5274088 | 1.00 | DNM1 (0.93) | — | |
| Pentadecylamine SCHEMBL356048 | 1.00 | DNM1 (0.93) | — | |
| Octadecylamine SCHEMBL1785756 | 1.00 | DNM1 (0.93) | — | |
| Water SCHEMBL9818050 | 1.00 | DNM1 (0.93) | — | |
| Dodecylamine SCHEMBL7359051 | 1.00 | DNM1 (0.93) | — | |
| Hexadecylamine SCHEMBL2426260 | 1.00 | DNM1 (0.93) | — | |
| Octane SCHEMBL29236487 | 1.00 | DNM1 (0.93) | — |
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 292 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110471262-A | A kind of colored filter developer composition | HUAPU MICROELECTRONIC TECH NINGBO CO LTD | 2019-11-19 | — | — | CN | claimed |
| CN-110283301-A | A kind of fluorine-containing polyfluorene and preparation method thereof | 常州大学 | 2019-09-27 | — | — | CN | claimed |
| CN-110183623-A | A kind of fluorine-containing triphenylamine copolymer and preparation method thereof | 常州大学 | 2019-08-30 | — | — | CN | claimed |
| CN-110139829-A | Polyaluminium salt, use thereof in the preparation of high purity colloidal aluminium-silica composite particles and zeolite | 埃科莱布美国股份有限公司 | 2019-08-16 | — | — | CN | claimed |
| CN-109608639-A | A kind of organopolysiloxane catalyst and its preparation method and application | 万华化学集团股份有限公司 | 2019-04-12 | — | — | CN | claimed |
| CN-108977196-A | A kind of surface is the preparation method of the quantum dot of oil-soluble deprotonation ligand | TCL集团股份有限公司 | 2018-12-11 | — | — | CN | claimed |
| CN-108977193-A | A kind of surface is the preparation method of the quantum dot of water-soluble deprotonation ligand | TCL集团股份有限公司 | 2018-12-11 | — | — | CN | claimed |
| CN-108977194-A | A kind of surface ligand is the preparation method of the quantum dot of deprotonation carboxylic acid | TCL集团股份有限公司 | 2018-12-11 | — | — | CN | claimed |
| CN-108461633-A | A kind of hybrid and preparation method thereof for perovskite solar cell electron transfer layer | 常州大学 | 2018-08-28 | — | — | CN | claimed |
| CN-108461637-A | A kind of hybrid and preparation method thereof for polymer solar battery electron transfer layer | 常州大学 | 2018-08-28 | — | — | CN | claimed |
| CN-102786668-A | Triphenylamine-based block polymer semiconductor, preparation method and application thereof | UNIV CHANGZHOU | 2012-11-21 | — | — | CN | claimed |
| CN-102232004-A | Process for accelerated capture of carbon dioxide | AKERMIN INC | 2011-11-02 | — | — | CN | claimed |
| CN-102127464-A | Method for removing organochlorine from hydrocarbon oil | CHINA PETROLEUM & CHEMICAL | 2011-07-20 | — | — | CN | claimed |
| CN-101372496-A | Corrosion inhibitor | EVONIK GOLDSCHMIDT GMBH (DE) | 2009-02-25 | — | — | CN | claimed |
| CN-101293950-A | Low-temperature-curable polyurethane compositions with uretdione groups, containing polymers based on polyols that carry secondary oh groups | DEGUSSA (DE) | 2008-10-29 | — | — | CN | claimed |
| CN-100367110-C | Chemical amplitude increased positive corrosionproof agent composition | SUMITOMO CHEMICAL CO (JP) | 2008-02-06 | — | — | CN | claimed |
| CN-1930205-A | Method for producing solid highly-reactive polyurethane compositions containing uretdione groups | DEGUSSA (DE) | 2007-03-14 | — | — | CN | claimed |
| CN-1424625-A | Chemical amplitude increased positive corrosionproof agent composition | SUMITOMO CHEMICAL CO (JP) | 2003-06-18 | — | — | CN | claimed |
| US-4868335-A | Separation of mono-n-hexylamine-water azeotrope | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1989-09-19 | — | — | US | claimed |
| US-4265664-A | FOR POLYURETHANES, EPOXY RESINS, POLYESTERS | CHEMIE LINZ AKTIENGESELLSCHAFT (AT) | 1981-05-05 | — | — | US | claimed |