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 SCHEMBL7492545 | 1.00 | — | — | |
| Water SCHEMBL2473448 | 1.00 | — | — | |
| SCHEMBL1331944 | 0.94 | — | — | |
| SCHEMBL27912512 | 0.94 | MAPK1 (0.31) | — | |
| SCHEMBL7240952 | 0.94 | — | — | |
| SCHEMBL1296 | 0.94 | — | — | |
| SCHEMBL10940023 | 0.94 | — | — | |
| Methyl Alcohol SCHEMBL12474241 | 0.91 | TSHR (0.32) | — | |
| SCHEMBL14973371 | 0.89 | — | — | |
| SCHEMBL16345057 | 0.89 | — | — |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115960750-A | Baeyer-Villiger monooxygenase, mutant and application thereof in preparation of chiral butyrolactone | 华东理工大学 | 2023-04-14 | — | — | CN | disclosed |
| CN-113321569-B | Method for separating isopropyl ether, isopropyl alcohol and water by extractive distillation | 烟台大学 | 2022-08-26 | — | — | CN | disclosed |
| US-9816147-B2 | Liquid crystal based analyte detection | PLATYPUS TECHNOLOGIES, LLC (US) | 2017-11-14 | — | — | US | disclosed |
| US-20150203925-A1 | LIQUID CRYSTAL BASED ANALYTE DETECTION | PLATYPUS TECHNOLOGIES, LLC | 2015-07-23 | — | — | US | disclosed |
| US-8988620-B2 | Liquid crystal based analyte detection | PLATYPUS TECHNOLOGIES, LLC (US) | 2015-03-24 | — | — | US | disclosed |
| EP-1468691-B1 | Use of bisphosphonates in the treatment of vascular restenosis | YISSUM RES DEV CO (IL) | 2010-06-16 | — | — | EP | disclosed |
| US-20100009344-A1 | LIQUID CRYSTAL BASED ANALYTE DETECTION | PLATYPUS TECHNOLOGIES, LLC (US) | 2010-01-14 | — | — | US | disclosed |
| EP-1654390-B1 | LIQUID CRYSTAL BASED ANALYTE DETECTION | PLATYPUS TECHNOLOGIES LLC (US) | 2009-11-11 | — | — | EP | disclosed |
| EP-1888781-A4 | LIQUID CRYSTAL BASED ANALYTE DETECTION | PLATYPUS TECHNOLOGIES LLC (US) | 2009-01-21 | — | — | EP | disclosed |
| EP-1906963-A2 | METHOD OF TREATING ISCHEMIA-REPERFUSION INJURY | Biorest Ltd. (IL) | 2008-04-09 | — | — | EP | disclosed |
| EP-1094820-A2 | USE OF BISPHOSPHONATES IN THE TREATMENT OF VASCULAR RESTENOSIS | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2001-05-02 | — | — | EP | disclosed |
| WO-2000003677-A2 | USE OF BISPHOSPHONATES IN THE TREATMENT OF VASCULAR RESTENOSIS | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2000-01-27 | — | — | WO | disclosed |
| EP-0345747-B1 | Tricyclic compounds | KYOWA HAKKO KOGYO KK (JP) | 1996-06-26 | — | — | EP | disclosed |
| EP-0345747-A2 | Tricyclic compounds | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1989-12-13 | — | — | EP | disclosed |
| EP-0168976-B1 | PROCESS FOR THE PRODUCTION OF AMINOPHENOLS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1988-02-03 | — | — | EP | disclosed |
| US-4618665-A | Process to prepare 2-phenylpropyl containing polydiorganosiloxanes | DOW CORNING CORPORATION (US) | 1986-10-21 | — | — | US | disclosed |
| US-4585896-A | Process for the production of an aminophenol | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1986-04-29 | — | — | US | disclosed |
| EP-0168976-A1 | Process for the production of aminophenols | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1986-01-22 | — | — | EP | disclosed |
| EP-0028665-B1 | PROCESS FOR THE PRODUCTION OF DIARALKYLDICHLOROSILANES AND THEIR USE IN MANUFACTURE OF POLYSILOXANE | Chisso Corporation (JP) | 1983-05-18 | — | — | EP | disclosed |
| US-4269993-A | Diaralkyldichlorosilanes | CHISSO CORPORATION (JP) | 1981-05-26 | — | — | US | disclosed |