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 | |
|---|---|---|---|---|
| SCHEMBL132857 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28359575 | 0.93 | — | — | |
| Methyl Alcohol SCHEMBL5605313 | 0.93 | — | — | |
| Glyoxylate SCHEMBL28767969 | 0.88 | HCAR2 (0.55) | — | |
| Benzene SCHEMBL30573452 | 0.88 | HCAR2 (0.50) | — | |
| Acetic Acid Methyl Ester SCHEMBL28490425 | 0.88 | ALDH1A1 (0.59) | — | |
| Chloroform SCHEMBL11206739 | 0.85 | HCAR2 (0.48) | — | |
| Glycolic Acid SCHEMBL11022333 | 0.81 | HCAR2 (0.43) | — | |
| SCHEMBL9339577 | 0.79 | TSHR (0.42) | — | |
| Dimethyl Fumarate SCHEMBL29070198 | 0.76 | NFE2L2 (0.93) | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106536475-B | Polyglyoxylic acid esters, their preparation and use | 西安大略大学 | 2021-04-30 | — | — | CN | disclosed |
| US-20170073452-A1 | POLYGLYOXYLATES, MANUFACTURE AND USE THEREOF | THE UNIVERSITY OF WESTERN ONTARIO (CA) | 2017-03-16 | — | — | US | disclosed |
| WO-2015168809-A1 | POLYGLYOXYLATES, MANUFACTURE AND USE THEREOF | THE UNIVERSITY OF WESTERN ONTARIO (CA) | 2015-11-12 | — | — | WO | disclosed |
| EP-0976738-B1 | Process for the preparation of propylene ureas | DAINIPPON INK & CHEMICALS (JP) | 2002-12-04 | — | — | EP | disclosed |
| EP-1218374-A1 | PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES | Applied Research Systems ARS Holding N.V. (AN) | 2002-07-03 | — | — | EP | disclosed |
| US-6348594-B2 | HARDENING OF POLYMERS | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2002-02-19 | — | — | US | disclosed |
| US-20020004599-A1 | PROPYLENE UREAS AND PROCESS FOR THEIR PREPARATION. | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2002-01-10 | — | — | US | disclosed |
| WO-2001023378-A1 | PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2001-04-05 | — | — | WO | disclosed |
| EP-0863131-B1 | Acrylic monomers, polymers thereof and crosslinking compositions | DAINIPPON INK & CHEMICALS (JP) | 2000-05-17 | — | — | EP | disclosed |
| EP-0976738-A2 | Propylene ureas and the process for their preparation | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2000-02-02 | — | — | EP | disclosed |
| US-4405637-A | CARBAPENICILLIN | BEECHAM GROUP LIMITED (GB) | 1983-09-20 | — | — | US | disclosed |
| US-4401595-A | 4-Allyl azetidinone intermediate for β-lactam antibacterial agents | BEECHAM GROUP LIMITED (GB) | 1983-08-30 | — | — | US | disclosed |
| EP-0000828-B1 | SYNTHETIC BETA-LACTAM COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM | BEECHAM GROUP PLC (GB) | 1983-03-09 | — | — | EP | disclosed |
| US-4350703-A | β-Lactam antibacterial agents | BEECHAM GROUP LIMITED (GB) | 1982-09-21 | — | — | US | disclosed |
| EP-0003740-B1 | BETA-LACTAM ANTIBIOTICS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BEECHAM GROUP PLC (GB) | 1982-01-27 | — | — | EP | disclosed |
| US-4293501-A | β-Lactam antibiotics, a process for their preparation and their use in pharmaceutical compositions | BEECHAM GROUP LIMITED (GB) | 1981-10-06 | — | — | US | disclosed |
| US-4255441-A | β-Lactam antibiotics, a process for their prepaeration and their use in pharmaceutical compositions | BEECHAM GROUP LIMITED (GB) | 1981-03-10 | — | — | US | disclosed |
| US-4210661-A | Synthetic β-lactam compounds, a process for their preparation and compositions containing them | BEECHAM GROUP LIMITED (GB) | 1980-07-01 | — | — | US | disclosed |
| EP-0003740-A2 | Beta-lactam antibiotics, a process for their preparation and pharmaceutical compositions containing them | BEECHAM GROUP PLC (GB) | 1979-09-05 | — | — | EP | disclosed |
| EP-0000828-A1 | Synthetic beta-lactam compounds, a process for their preparation and compositions containing them | BEECHAM GROUP PLC (GB) | 1979-02-21 | — | — | EP | disclosed |