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.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CRHBP | P24387 | 2/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.33 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.33 |
| ▸ | ITGAL | P20701 | 1/20 | 0.33 |
| ▸ | OXTR | P30559 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 SCHEMBL8849446 | 1.00 | MAOA (0.39) | MAOAMAOBLMNACRHBPCRHR2 | |
| Water SCHEMBL1552056 | 1.00 | MAOA (0.39) | MAOAMAOBLMNACRHBPCRHR2 | |
| Water SCHEMBL8983758 | 1.00 | MAOA (0.39) | MAOAMAOBLMNACRHBPCRHR2 | |
| Water SCHEMBL8983722 | 1.00 | MAOA (0.39) | MAOAMAOBLMNACRHBPCRHR2 | |
| SCHEMBL1420110 | 0.98 | MAOA (0.41) | MAOAMAOBLMNACRHBPCRHR2 | |
| SCHEMBL29434883 | 0.98 | MAOA (0.41) | MAOAMAOBLMNACRHBPCRHR2 | |
| SCHEMBL9209 | 0.98 | MAOA (0.41) | MAOAMAOBLMNACRHBPCRHR2 | |
| SCHEMBL7197365 | 0.98 | MAOA (0.41) | MAOAMAOBLMNACRHBPCRHR2 | |
| Water SCHEMBL16538062 | 0.96 | MAOA (0.37) | MAOAMAOBLMNACRHBPCRHR2 | |
| SCHEMBL2143603 | 0.95 | MAOA (0.39) | MAOAMAOBLMNACRHBPCRHR2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3250211-B1 | NOVEL PROCESS FOR PREPARATION OF GLUCOCORTICOID STEROIDS | CORAL DRUGS PVT LTD (IN) | 2021-12-22 | — | — | EP | claimed |
| EP-3151998-B1 | USE OF AN IONIC LIQUID AS A SOLDERING/BRAZING FLUX | UNIV LEICESTER (GB) | 2019-05-01 | — | — | EP | claimed |
| EP-2073821-B1 | MIXTURE OF IRON AND COPPER SALTS MASKING METALLIC TASTE | BAYER CONSUMER CARE AG (CH) | 2012-10-24 | — | — | EP | claimed |
| EP-1937287-B1 | MIXTURE OF IRON AND COPPER SALTS MASKING METALLIC TASTE | BAYER CONSUMER CARE AG (CH) | 2012-02-29 | — | — | EP | claimed |
| EP-1143924-B1 | EXOTHERMIC EFFERVESCENT COMPOSITION FOR IMPROVED FRAGRANCE DISPERSION | PHYZZ INC (US) | 2005-10-26 | — | — | EP | claimed |
| WO-2005087024-A2 | PRODUCT CONTAINING A HIGHLY BIOAVAILABLE MINERAL, METHOD FOR PREPARING AND USING | LARENA (FR) | 2005-09-22 | — | — | WO | claimed |
| EP-0760401-B1 | Liquid rust proof film-forming composition and rust proof film-forming method | DIPSOL CHEM (JP) | 2003-12-03 | — | — | EP | claimed |
| EP-0694593-B1 | Anticorrosive composition free from sexvalent chromium | PROCOAT S L (ES) | 2002-06-05 | — | — | EP | claimed |
| EP-2931708-B1 | CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF | DIVERCHIM (FR) | 2017-05-10 | — | — | EP | disclosed |
| EP-2931708-A2 | CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF | Diverchim (FR) | 2015-10-21 | — | — | EP | disclosed |
| WO-2014091167-A2 | CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF | DIVERCHIM (FR) | 2014-06-19 | — | — | WO | disclosed |
| EP-0486333-B1 | Process for the preparation of 1,1,1,2-tetra fluoroethane | ATOCHEM ELF SA (FR) | 1994-12-14 | — | — | EP | disclosed |
| EP-0486333-A1 | Process for the preparation of 1,1,1,2-tetra fluoroethane | ELF ATOCHEM S.A. (FR) | 1992-05-20 | — | — | EP | disclosed |
| EP-0102874-B1 | NICKEL OR COBALT CHEMICAL PLATING BATH USING REDUCING AGENTS CONTAINING BORON OR PHOSPHOR | Office National d'Etudes et de Recherches Aérospatiales (O.N.E.R.A.) (FR) | 1986-12-03 | — | — | EP | disclosed |
| EP-0102874-A1 | Nickel or cobalt chemical plating bath using reducing agents containing boron or phosphor | Office National d'Etudes et de Recherches Aérospatiales (O.N.E.R.A.) (FR) | 1984-03-14 | — | — | EP | disclosed |