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 SCHEMBL1290349 | 1.00 | — | — | |
| Water SCHEMBL38666194 | 1.00 | ALDH1A1 (0.83) | — | |
| Water SCHEMBL2054243 | 1.00 | ALDH1A1 (0.83) | — | |
| Water SCHEMBL6944372 | 1.00 | — | — | |
| Water SCHEMBL620210 | 1.00 | — | — | |
| Water SCHEMBL1290581 | 1.00 | ALDH1A1 (0.83) | — | |
| Water SCHEMBL28586894 | 0.93 | — | — | |
| SCHEMBL18285 | 0.91 | — | — | |
| SCHEMBL724735 | 0.91 | — | — | |
| SCHEMBL7192523 | 0.83 | — | — |
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 110 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2334631-B1 | METHOD FOR SEPARATING ACRYLIC ACID, CONTAINED AS THE MAIN CONSTITUENT, AND GLYOXAL, CONTAINED AS A BY-PRODUCT, FROM A GASEOUS PRODUCT MIXTURE OF A C3 PRECURSOR COMPOUND OF ACRYLIC ACID | BASF SE (DE) | 2017-03-01 | — | — | EP | claimed |
| EP-2694124-B1 | BIOCOMPATIBLE AND BIODEGRADABLE GRADIENT LAYER SYSTEM FOR REGENERATIVE MEDICINE AND FOR TISSUE SUPPORT | Universitätsklinikum Freiburg (DE) | 2017-01-04 | — | — | EP | claimed |
| US-8299299-B2 | Process for separating acrylic acid present as a main constituent and glyoxal present as a by-product in a product gas mixture of a partial heterogeneously catalyzed gas phase oxidation of a C3 precursor compound of acrylic acid | BASF SE (DE) | 2012-10-30 | — | — | US | claimed |
| JP-2011529094-A | — | — | 2011-12-01 | — | — | JP | claimed |
| EP-2334631-A1 | METHOD FOR SEPARATING ACRYLIC ACID, CONTAINED AS THE MAIN CONSTITUENT, AND GLYOXAL, CONTAINED AS A BY-PRODUCT, FROM A GASEOUS PRODUCT MIXTURE OF A C3 PRECURSOR COMPOUND OF ACRYLIC ACID | BASF SE (DE) | 2011-06-22 | — | — | EP | claimed |
| WO-2010012586-A1 | METHOD FOR SEPARATING ACRYLIC ACID, CONTAINED AS THE MAIN CONSTITUENT, AND GLYOXAL, CONTAINED AS A BY-PRODUCT, FROM A GASEOUS PRODUCT MIXTURE OF A C3 PRECURSOR COMPOUND OF ACRYLIC ACID | BASF SE (DE) | 2010-02-04 | — | — | WO | claimed |
| US-20100022734-A1 | PROCESS FOR SEPARATING ACRYLIC ACID PRESENT AS A MAIN CONSTITUENT AND GLYOXAL PRESENT AS A BY-PRODUCT IN A PRODUCT GAS MIXTURE OF A PARTIAL HETEROGENEOUSLY CATALYZED GAS PHASE OXIDATION OF A C3 PRECURSOR COMPOUND OF ACRYLIC ACID | BASF SE (DE) | 2010-01-28 | — | — | US | claimed |
| US-20030162199-A1 | Reversible chemical modification of nucleic acids and improved method for nucleic acid hybridization | BIOLINK PARTNERS, INC. | 2003-08-28 | — | — | US | claimed |
| WO-2001075139-A1 | REVERSIBLE CHEMICAL MODIFICATION OF NUCLEIC ACIDS AND IMPROVED METHOD FOR NUCLEIC ACID HYBRIDIZATION | BIOLINK PARTNERS, INC. (US) | 2001-10-11 | — | — | WO | claimed |
| CN-122070479-A | Ultrasonic indicating device and method for monitoring ultrasonic treatment | JP实验室股份有限公司 | 2026-05-19 | — | — | CN | disclosed |
| EP-2625159-B1 | PROCESS FOR INHIBITING UNWANTED FREE-RADICAL POLYMERIZATION OF ACRYLIC ACID PRESENT IN A LIQUID PHASE P | BASF SE (DE) | 2024-10-02 | — | — | EP | disclosed |
| US-20240140986-A1 | SYNTHETIC URSOLIC ACID DERIVATIVES AND METHODS OF USE THEREOF | REATA PHARMACEUTICALS, INC. | 2024-05-02 | — | — | US | disclosed |
| CN-112469686-B | Method for inhibiting unwanted radical polymerization of acrylic acid present in liquid phase P | 巴斯夫欧洲公司 | 2024-04-05 | — | — | CN | disclosed |
| EP-4277916-A1 | SYNTHETIC URSOLIC ACID DERIVATIVES AND METHODS OF USE THEREOF | Reata Pharmaceuticals, Inc. (US) | 2023-11-22 | — | — | EP | disclosed |
| WO-1995005192-A1 | SUBSTITUTED KETONE DERIVATIVES AS INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | MERCK & CO., INC. (US) | 1995-02-23 | — | — | WO | disclosed |
| US-4880934-A | Preparation of hydroxyalkylpiperazinones by reacting a 2,3-dihydroxy-1,4-dioxane with a hydroalkyldiamine | THE DOW CHEMICAL COMPANY (US) | 1989-11-14 | — | — | US | disclosed |
| US-4837324-A | Process for the reaction of piperazine, and derivatives thereof, with glyoxal, and derivatives thereof | THE DOW CHEMICAL COMPANY (US) | 1989-06-06 | — | — | US | disclosed |
| US-4814443-A | Preparation of hydroxyalkylpiperazinones by reacting glyoxal with hydroxyalkyldiamines | THE DOW CHEMICAL COMPANY (US) | 1989-03-21 | — | — | US | disclosed |
| US-4761476-A | Compounds formed by the reaction of piperazine, and derivatives thereof, with glyoxal, and derivatives thereof | THE DOW CHEMICAL COMPANY (US) | 1988-08-02 | — | — | US | disclosed |
| US-4466805-A | 1,1,6,6-TETRAALKOXY HEXA-2,4-DIENES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-08-21 | — | — | US | disclosed |