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 | |
|---|---|---|---|---|
| SCHEMBL620330 | 0.89 | — | — | |
| SCHEMBL30960331 | 0.80 | — | — | |
| SCHEMBL4922010 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL7066937 | 0.80 | — | — | |
| SCHEMBL2788464 | 0.78 | — | — | |
| SCHEMBL8654670 | 0.60 | — | — | |
| Water SCHEMBL28374685 | 0.52 | — | — | |
| Water SCHEMBL21062126 | 0.52 | — | — | |
| Water SCHEMBL21611655 | 0.52 | — | — | |
| Water O 15 SCHEMBL25428717 | 0.45 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2152780-B1 | REVERSIBLE DERIVATIZATION OF POLY (ARYL ETHER KETONES) | CYTEC TECH CORP (US) | 2017-09-06 | — | — | EP | claimed |
| US-20160075840-A1 | Reversible Derivatization of Poly (Aryl Ether Ketones) | CYTEC TECHNOLOGY CORP. (US) | 2016-03-17 | — | — | US | claimed |
| US-20110040045-A1 | REVERSIBLE DERIVATIZATION OF POLY (ARYL ETHER KETONES) | CYTEC TECHNOLOGY CORP. | 2011-02-17 | — | — | US | claimed |
| EP-2152780-A1 | REVERSIBLE DERIVATIZATION OF POLY (ARYL ETHER KETONES) | CYTEC TECHNOLOGY CORP. (US) | 2010-02-17 | — | — | EP | claimed |
| WO-2008147722-A1 | REVERSIBLE DERIVATIZATION OF POLY (ARYL ETHER KETONES) | CYTEC TECHNOLOGY CORP. (US) | 2008-12-04 | — | — | WO | claimed |
| US-9963563-B2 | Reversible derivatization of poly (aryl ether ketones) | CYTEC TECHNOLOGY CORP. (US) | 2018-05-08 | — | — | US | disclosed |
| US-20180030227-A1 | REVERSIBLE DERIVATIZATION OF POLY (ARYL ETHER KETONES) | CYTEC TECHNOLOGY CORP. (US) | 2018-02-01 | — | — | US | disclosed |
| US-9828478-B2 | Reversible derivatization of poly (aryl ether ketones) | CYTEC TECHNOLOGY CORP. (US) | 2017-11-28 | — | — | US | disclosed |
| EP-2152780-B1 | REVERSIBLE DERIVATIZATION OF POLY (ARYL ETHER KETONES) | CYTEC TECH CORP (US) | 2017-09-06 | — | — | EP | disclosed |
| US-20160075840-A1 | Reversible Derivatization of Poly (Aryl Ether Ketones) | CYTEC TECHNOLOGY CORP. (US) | 2016-03-17 | — | — | US | disclosed |
| US-20110040045-A1 | REVERSIBLE DERIVATIZATION OF POLY (ARYL ETHER KETONES) | CYTEC TECHNOLOGY CORP. | 2011-02-17 | — | — | US | disclosed |
| EP-2152780-A1 | REVERSIBLE DERIVATIZATION OF POLY (ARYL ETHER KETONES) | CYTEC TECHNOLOGY CORP. (US) | 2010-02-17 | — | — | EP | disclosed |
| WO-2008147722-A1 | REVERSIBLE DERIVATIZATION OF POLY (ARYL ETHER KETONES) | CYTEC TECHNOLOGY CORP. (US) | 2008-12-04 | — | — | WO | disclosed |