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 SCHEMBL3804542 | 1.00 | — | — | |
| Water SCHEMBL7466737 | 1.00 | — | — | |
| Water SCHEMBL2356196 | 0.91 | — | — | |
| Water SCHEMBL30659236 | 0.91 | — | — | |
| Water SCHEMBL28568559 | 0.91 | — | — | |
| Water SCHEMBL2491549 | 0.91 | — | — | |
| Water SCHEMBL8605025 | 0.91 | — | — | |
| Water SCHEMBL283119 | 0.91 | — | — | |
| Water SCHEMBL20515168 | 0.91 | — | — | |
| Water SCHEMBL31172697 | 0.91 | — | — |
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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018220513-A1 | AN IMPROVED PROCESS FOR PREPARATION OF OBETICHOLIC ACID | ALEMBIC PHARMACEUTICALS LIMITED (IN) | 2018-12-06 | — | — | WO | claimed |
| WO-2014202963-A2 | NEW CATALYSTS | UNIVERSITY OF KEELE (GB) | 2014-12-24 | — | — | WO | claimed |
| CN-118344601-A | Polypyrrole/zirconium-based metal organic framework composite material, preparation method and application | 浙江理工大学 | 2024-07-16 | — | — | CN | disclosed |
| US-20230339907-A1 | PROCESS FOR THE PREPARATION OF QUATERNIZED PYRIDAZINE DERIVATIVES | SYNGENTA CROP PROTECTION AG (CH) | 2023-10-26 | — | — | US | disclosed |
| US-20230212110-A1 | CARBAMATE PRODUCTION METHOD, CARBAMATE ESTER PRODUCTION METHOD, AND UREA DERIVATIVE PRODUCTION METHOD | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2023-07-06 | — | — | US | disclosed |
| EP-4196469-A1 | PROCESS FOR THE PREPARATION OF QUATERNIZED PYRIDAZINE DERIVATIVES | Syngenta Crop Protection AG (CH) | 2023-06-21 | — | — | EP | disclosed |
| EP-4169901-A1 | CARBAMATE PRODUCTION METHOD, CARBAMATE ESTER PRODUCTION METHOD, AND UREA DERIVATIVE PRODUCTION METHOD | National Institute Of Advanced Industrial Science and Technology (JP) | 2023-04-26 | — | — | EP | disclosed |
| EP-3885317-B1 | ZIRCONIA-BASED POROUS BODY | DAIICHI KIGENSO KAGAKU KOGYO (JP) | 2022-10-05 | — | — | EP | disclosed |
| CN-114790109-A | Preparation method of zirconium tungstate/zirconium oxide composite powder with mosaic structure | 哈尔滨工业大学 | 2022-07-26 | — | — | CN | disclosed |
| EP-4023600-A1 | ZIRCONIA-BASED POROUS BODY AND PRODUCTION METHOD FOR ZIRCONIA-BASED POROUS BODY | Daiichi Kigenso Kagaku Kogyo Co., Ltd. (JP) | 2022-07-06 | — | — | EP | disclosed |
| WO-2022034204-A1 | PROCESS FOR THE PREPARATION OF QUATERNIZED PYRIDAZINE DERIVATIVES | SYNGENTA CROP PROTECTION AG (CH) | 2022-02-17 | — | — | WO | disclosed |
| WO-2010067945-A1 | METHANOL SYNTHESIS METHOD USING SYNTHESIS GAS GENERATED BY A MIXED REFORMING OF NATURAL GAS AND CARBON DIOXIDE | 현대중공업 주식회사 (KR) | 2010-06-17 | — | — | WO | disclosed |
| WO-2010011101-A2 | CATALYST FOR SYNTHESIZING METHANOL FROM SYNTHESIS GAS AND PREPARATION METHOD THEREOF | 현대중공업 주식회사 (KR) | 2010-01-28 | — | — | WO | disclosed |
| WO-2009051353-A2 | METHOD OF DIRECT SYNTHESIS OF LIGHT HYDROCARBONS FROM NATURAL GAS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2009-04-23 | — | — | WO | disclosed |
| EP-0757014-B1 | Process for the preparation of mixed silica-zirconia sols and mixed oxides obtained in spherical form | ENICHEM SPA (IT) | 2002-03-13 | — | — | EP | disclosed |
| US-5780004-A | MIXING A SILICON ALKOXIDE WITH A SOLUTION OF AN INORGANIC ZIRCONIUM SALT IN A LOW MOLECULAR WEIGHT POLYOL; ACID HYDROLYSIS; CALCINING | ENICHEM S.P.A. (IT) | 1998-07-14 | — | — | US | disclosed |
| EP-0757014-A1 | Process for the preparation of mixed silica-zirconia sols and mixed oxides obtained in spherical form | ENICHEM S.p.A. (IT) | 1997-02-05 | — | — | EP | disclosed |
| EP-0461850-B1 | Process for producing alpha-hydroxycarboxylicacid amides | MITSUI TOATSU CHEMICALS (JP) | 1995-09-27 | — | — | 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 |
| EP-0461850-A1 | Process for producing alpha-hydroxycarboxylicacid amides | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-12-18 | — | — | EP | disclosed |