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 SCHEMBL29362969 | 1.00 | — | — | |
| Water SCHEMBL29672264 | 1.00 | — | — | |
| Water SCHEMBL238990 | 1.00 | — | — | |
| Water SCHEMBL30426599 | 1.00 | — | — | |
| Water SCHEMBL10335071 | 0.82 | — | — | |
| Water SCHEMBL124509 | 0.82 | — | — | |
| Water SCHEMBL502660 | 0.82 | — | — | |
| Water SCHEMBL54498 | 0.82 | — | — | |
| Water SCHEMBL76259 | 0.82 | — | — | |
| Water SCHEMBL31109505 | 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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1478339-B9 | PHARMACEUTICAL FORMULATIONS OF ANTINEOPLASTIC AGENTS, IN PARTICULAR TEMOZOLOMIDE, PROCESSES OF MAKING AND USING THE SAME | SCHERING CORP (US) | 2009-08-19 | — | — | EP | claimed |
| EP-1478339-B1 | PHARMACEUTICAL FORMULATIONS OF ANTINEOPLASTIC AGENTS, IN PARTICULAR TEMOZOLOMIDE, PROCESSES OF MAKING AND USING THE SAME | SCHERING CORP (US) | 2008-06-04 | — | — | EP | claimed |
| CN-110325587-B | Methacrylic resin composition and use thereof | 株式会社可乐丽 | 2022-03-01 | — | — | CN | disclosed |
| US-20120076696-A1 | Apparatus for hydrogenation and method for hydrogenating conjugated diene polymer by employing the apparatus | CHI-MEI CORPORATION | 2012-03-29 | — | — | US | disclosed |
| US-20110086978-A1 | Apparatus for hydrogenation and method for hydrogenating conjugated diene polymer by employing the apparatus | CHI-MEI CORPORATION | 2011-04-14 | — | — | US | disclosed |
| US-20100137525-A1 | Catalyst composition for hydrogenation and their use for hydrogenation conjugated diene polymer | CHI-MEI CORPORATION | 2010-06-03 | — | — | US | disclosed |
| US-20080262161-A1 | Apparatus for hydrogenation and method for hydrogenating conjugated diene polymer by employing the apparatus | CHI-MEI CORPORATION | 2008-10-23 | — | — | US | disclosed |
| US-20080171653-A1 | Catalyst composition for hydrogenation and their use for hydrogenation conjugated diene polymer | CHI-MEI CORPORATION | 2008-07-17 | — | — | US | disclosed |
| EP-1806333-A1 | A method for manufacturing dialkyl carbonate | GENERAL ELECTRIC COMPANY (US) | 2007-07-11 | — | — | EP | disclosed |
| EP-1299341-B1 | A METHOD FOR MANUFACTURING DIALKYL CARBONATE | GEN ELECTRIC (US) | 2007-04-25 | — | — | EP | disclosed |
| EP-1299341-A2 | A METHOD FOR MANUFACTURING DIALKYL CARBONATE | GENERAL ELECTRIC COMPANY (US) | 2003-04-09 | — | — | EP | disclosed |
| US-6458914-B2 | REACTING CARBON MONOXIDE, OXYGEN AND ALCOHOL IN THE PRESENCE OF A CATALYST PRODUCED BY REACTING TOGETHER AND INCLUDING A CUPRIC HALIDE AND AN ALKOXIDE COMPOUND OF A GROUP III THROUGH VII METAL; EFFICIENCY; ANTIFOULING AGENTS | GENERAL ELECTRIC COMPANY | 2002-10-01 | — | — | US | disclosed |
| EP-1189870-A1 | METHOD FOR MANUFACTURING DIALKYL CARBONATE | GENERAL ELECTRIC COMPANY (US) | 2002-03-27 | — | — | EP | disclosed |
| US-20020007087-A1 | Method for manufacturing dialkyl carbonate | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2002-01-17 | — | — | US | disclosed |
| WO-2002000596-A2 | A METHOD FOR MANUFACTURING DIALKYL CARBONATE | GENERAL ELECTRIC COMPANY (US) | 2002-01-03 | — | — | WO | disclosed |
| US-6258923-B1 | REACTING CARBON MONOXIDE, OXYGEN AND ALCOHOL | GENERAL ELECTRIC COMPANY | 2001-07-10 | — | — | US | disclosed |
| WO-2000076950-A1 | METHOD FOR MANUFACTURING DIALKYL CARBONATE | GENERAL ELECTRIC COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |