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 | |
|---|---|---|---|---|
| Benzene SCHEMBL17977991 | 0.97 | TSHR (1.00) | — | |
| SCHEMBL3008675 | 0.97 | — | — | |
| SCHEMBL4454 | 0.97 | — | — | |
| SCHEMBL19298582 | 0.97 | TSHR (1.00) | — | |
| Methyl Alcohol SCHEMBL27262934 | 0.94 | TSHR (0.82) | — | |
| SCHEMBL7709427 | 0.93 | — | — | |
| Dimethylamine SCHEMBL7642350 | 0.93 | TSHR (0.93) | — | |
| Iodide SCHEMBL22092509 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL2637990 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL7932140 | 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108640919-A | The matrine derivative and Sophoridine derivative and preparation method thereof of amidine containing aryl or aminoquinoline structure | 广西大学 | 2018-10-12 | — | — | CN | claimed |
| CN-113773241-B | Synthesis method of N-methylindole | 太原理工大学 | 2023-03-10 | — | — | CN | disclosed |
| CN-113773241-A | Synthesis method of N-methylindole | 太原理工大学 | 2021-12-10 | — | — | CN | disclosed |
| CN-106432248-B | The LSD1 of triazole containing pyrimido inhibitor, preparation method and application | 郑州大学 | 2018-11-27 | — | — | CN | disclosed |
| CN-108752341-A | A kind of preparation method of bromo- 7 azaindoles of 5- | 南京杰运医药科技有限公司 | 2018-11-06 | — | — | CN | disclosed |
| WO-2017071933-A1 | COATING AGENT WITH MONOALLOPHANATES BASED ON ALKOXYSILANE-ALKYL ISOCYANATES | EVONIK DEGUSSA GMBH (DE) | 2017-05-04 | — | — | WO | disclosed |
| CN-104030987-B | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | 默克雪兰诺有限公司 | 2017-04-12 | — | — | CN | disclosed |
| CN-105264016-A | Reinforcing agent for polycarbonate resin, polycarbonate resin composition, and molded article | MITSUBISHI CHEM CORP | 2016-01-20 | — | — | CN | disclosed |
| CN-104861956-A | Oil and gas field acidification high-temperature corrosion Inhibitor and preparation method thereof | UNIV CHINA PETROLEUM | 2015-08-26 | — | — | CN | disclosed |
| CN-104610877-A | Titania-containing coating composition and coated article | SHINETSU CHEMICAL CO | 2015-05-13 | — | — | CN | disclosed |
| CN-101805501-A | Poly carbonate resin composition and manufacture method thereof | MITSUBISHI GAS CHEMICAL CO | 2010-08-18 | — | — | CN | disclosed |
| CN-101619169-A | Heat-curable silicone resin-epoxy resin composition, and premolded package molded from same | SHINETSU CHEMICAL CO | 2010-01-06 | — | — | CN | disclosed |
| CN-101490130-A | Polycarbonate resin and optical film using the same | MITSUBISHI GAS CHEMICAL CO (JP) | 2009-07-22 | — | — | CN | disclosed |
| CN-101379054-A | Piperidine derivatives as CXCR3 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2009-03-04 | — | — | CN | disclosed |
| CN-1903161-A | Composition for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an asociative polymer | OREAL (FR) | 2007-01-31 | — | — | CN | disclosed |
| CN-1076350-C | Dimethylfuroxanide derivatives | SANKYO CO (JP) | 2001-12-19 | — | — | CN | disclosed |
| EP-0709736-B1 | Method for producing compounds used in a positive chemically amplified resist composition | FUJI PHOTO FILM CO LTD (JP) | 1999-04-21 | — | — | EP | disclosed |
| US-5693452-A | FOR USE IN PRODUCTION OF SEMICONDUCTORS | FUJI PHOTO FILM CO., LTD. (JP) | 1997-12-02 | — | — | US | disclosed |
| CN-1152307-A | Dimethylfuroxanide derivatives | SANKYO CO (JP) | 1997-06-18 | — | — | CN | disclosed |
| EP-0709736-A1 | Positive chemically amplified resist composition and method for producing compounds used therein | FUJI PHOTO FILM CO., LTD. (JP) | 1996-05-01 | — | — | EP | disclosed |