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 SCHEMBL8102706 | 1.00 | MEN1 (0.67) | — | |
| Water SCHEMBL2019825 | 1.00 | — | — | |
| Water SCHEMBL3597569 | 1.00 | — | — | |
| Water SCHEMBL708617 | 0.94 | MEN1 (0.75) | — | |
| Water SCHEMBL2590832 | 0.94 | MEN1 (0.75) | — | |
| Water SCHEMBL28478211 | 0.94 | MEN1 (0.75) | — | |
| Water SCHEMBL28398822 | 0.94 | MEN1 (0.75) | — | |
| Water SCHEMBL10896609 | 0.94 | MEN1 (0.75) | — | |
| Water SCHEMBL10566608 | 0.94 | MEN1 (0.75) | — | |
| Water SCHEMBL27601262 | 0.94 | MEN1 (0.75) | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1806178-B1 | CATALYST COMPOSED OF COMPLEX OXIDE | ASAHI CHEMICAL IND (JP) | 2020-03-04 | — | — | EP | disclosed |
| US-8642501-B2 | Composite oxide catalyst | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2014-02-04 | — | — | US | disclosed |
| US-8389435-B2 | Metal oxide catalyst carrier particle and exhaust gas purification catalyst | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2013-03-05 | — | — | US | disclosed |
| WO-2011135785-A1 | PROPYLENE PRODUCTION METHOD | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2011-11-03 | — | — | WO | disclosed |
| CN-101005892-B | Catalyst composed of complex oxide | ASAHI CHEMICAL CORP | 2010-06-09 | — | — | CN | disclosed |
| US-20100004117-A1 | METAL OXIDE CATALYST CARRIER PARTICLE AND EXHAUST GAS PURIFICATION CATALYST | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2010-01-07 | — | — | US | disclosed |
| CN-101366139-A | Electrolyte membrane, membrane electrode assembly, and fuel cell | TOSHIBA KK (JP) | 2009-02-11 | — | — | CN | disclosed |
| EP-2010319-A2 | METAL OXIDE CATALYST CARRIER PARTICLE AND EXHAUST GAS PURIFICATION CATALYST | Toyota Jidosha Kabushiki Kaisha (JP) | 2009-01-07 | — | — | EP | disclosed |
| US-20080108843-A1 | Composite Oxide Catalyst | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2008-05-08 | — | — | US | disclosed |
| WO-2007113674-A2 | METAL OXIDE CATALYST CARRIER PARTICLE AND EXHAUST GAS PURIFICATION CATALYST | TOYOTA JIDOSHA KABUSHIKI KAISHA (GB) | 2007-10-11 | — | — | WO | disclosed |
| CN-1344190-A | Method for producing fine powder of metallic nickel comprised of fine spherical particles | SAKAI CHEMICAL INDUSTRY CO (JP) | 2002-04-10 | — | — | CN | disclosed |
| EP-1160033-A1 | METHOD FOR PRODUCING FINE POWDER OF METALLIC NICKEL COMPRISED OF FINE SPHERICAL PARTICLES | SAKAI CHEMICAL INDUSTRIAL COMPANY LTD. (JP) | 2001-12-05 | — | — | EP | disclosed |
| EP-0658552-B1 | Process for the preparation of alpha-tocopherol derivatives | EISAI CO LTD (JP) | 1999-03-31 | — | — | EP | disclosed |
| US-5532387-A | CYCLIZATION OF TRIMETHYLHYDROQUINONE AND AN ALKENYL ALCOHOL, REUSABLE CATALYST, IIIB FLUOROSULFONATE, NITRATE, SULFATE, OR FLUOROALKYLSULFONATE | EISAI CO., LTD. (JP) | 1996-07-02 | — | — | US | disclosed |
| EP-0461850-B1 | Process for producing alpha-hydroxycarboxylicacid amides | MITSUI TOATSU CHEMICALS (JP) | 1995-09-27 | — | — | EP | disclosed |
| EP-0658552-A1 | Process for the preparation of alpha-tocopherol derivatives | Eisai Co., Ltd. (JP) | 1995-06-21 | — | — | EP | disclosed |
| US-5276185-A | Reacting alpha hydroxy nitrile compound with water in presence of manganese dioxide catalyst containing a metal | MITSUI TOATSU CHEMICALS, INC. (JP) | 1994-01-04 | — | — | US | disclosed |
| US-5112783-A | Containing chloride and/or nitrate, cubic structure | UBE INDUSTRIES, LTD. (JP) | 1992-05-12 | — | — | US | disclosed |
| EP-0461850-A1 | Process for producing alpha-hydroxycarboxylicacid amides | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-12-18 | — | — | EP | disclosed |
| US-4003920-A | OXIDATION OF UNSATURATED HYDROCARBONS | KURARAY CO., LTD. (JA) | 1977-01-18 | — | — | US | disclosed |