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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 SCHEMBL28741257 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CA4KDM4ELMNAMAPT | |
| SCHEMBL149815 | 0.98 | ALDH1A1 (0.48) | ALDH1A1CA4KDM4ELMNAMAPT | |
| SCHEMBL1938661 | 0.97 | ALDH1A1 (0.47) | ALDH1A1CA4KDM4ELMNAMAPT | |
| Water SCHEMBL17843652 | 0.97 | ALDH1A1 (0.47) | ALDH1A1CA4KDM4ELMNAMAPT | |
| SCHEMBL27748681 | 0.97 | ALDH1A1 (0.47) | ALDH1A1CA4KDM4ELMNAMAPT | |
| Potassium Ion SCHEMBL1389321 | 0.95 | ALDH1A1 (0.48) | ALDH1A1CA4KDM4ELMNAMAPT | |
| Potassium Chloride SCHEMBL27337973 | 0.94 | ALDH1A1 (0.44) | ALDH1A1CA4KDM4ELMNAMAPT | |
| Potassium Ion SCHEMBL12980475 | 0.94 | ALDH1A1 (0.47) | ALDH1A1CA4KDM4ELMNAMAPT | |
| SCHEMBL8890508 | 0.92 | ALDH1A1 (0.52) | ALDH1A1CA4KDM4ELMNAMAPT | |
| Citric Acid SCHEMBL19585410 | 0.91 | CA4 (0.46) | ALDH1A1CA4KDM4ELMNAMAPT |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105026369-A | Glycopyrrolate salts | DERMIRA INC | 2015-11-04 | — | — | CN | disclosed |
| CN-1450893-A | Method for treatment of sepsis | LILLY CO ELI (US) | 2003-10-22 | — | — | CN | disclosed |
| CN-1382204-A | Detergent compositions comprising raw starch degrading enzyme | PROCTER & GAMBLE (US) | 2002-11-27 | — | — | CN | disclosed |
| CN-1374999-A | Detergent compositions comprising a retrograded starch degrading enzyme | PROCTER & GAMBLE (US) | 2002-10-16 | — | — | CN | disclosed |
| CN-1372591-A | Detergent compositions comprising amyloglucosidase enzyme | PROCTER & GAMBLE (US) | 2002-10-02 | — | — | CN | disclosed |
| CN-1369007-A | Alkaline xyloglucanase from malbranchea | NOVOZYMES AS (DK) | 2002-09-11 | — | — | CN | disclosed |
| EP-1224251-A1 | DETERGENT COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 2002-07-24 | — | — | EP | disclosed |
| CN-1327478-A | Laundry detergent and/or fabric care compositions | PROCTER & GAMBLE (US) | 2001-12-19 | — | — | CN | disclosed |
| WO-2001030953-A1 | DETERGENT COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 2001-05-03 | — | — | WO | disclosed |
| CN-1278703-A | Antimicrobial activity of laccases | NOVO NOROISK AS (DK) | 2001-01-03 | — | — | CN | disclosed |
| CN-1225674-A | Detergent composition containing alpha-amylase combination for malodor removal | PROCTER & GAMBLE (US) | 1999-08-11 | — | — | CN | disclosed |
| CN-1225118-A | Detergents with protease enzyme and laccase enzyme | PROCTER & GAMBLE (US) | 1999-08-04 | — | — | CN | disclosed |
| CN-1225120-A | Detergent compositions comprising improved amylases, cellulase and cationic surfactant | PROCTER & GAMBLE (US) | 1999-08-04 | — | — | CN | disclosed |
| CN-1225119-A | Detergent compositions comprising laccase enzyme | PROCTER & GAMBLE (US) | 1999-08-04 | — | — | CN | disclosed |
| CN-1224453-A | Detergent compositions comprising specific lipolytic enzyme and lime soap dipersant | PROCTER & GAMBLE (US) | 1999-07-28 | — | — | CN | disclosed |
| CN-1217742-A | Detergent compositions containing improved amylase enzymes | PROCTER & GAMBLE (US) | 1999-05-26 | — | — | CN | disclosed |
| CN-1216575-A | Cleaning compositions comprising endo-dextranase | PROCTER & GAMBLE (US) | 1999-05-12 | — | — | CN | disclosed |
| CN-1201485-A | Detergent compositions | PROCTER & GAMBLE (US) | 1998-12-09 | — | — | CN | disclosed |
| US-5629278-A | FOR MANUAL DISHWASHING: SURFACTANT, WATER, POLYGALACTURONASE WITH LESS THAN 10% OTHER PECTIC ENZYMES, LESS THAN 1.5% BUILDER, AND DETERGENT COMPONENT, I.E., GROUP II METAL IONS, ENZYME, HYDROTROPE, ORGANIC SOLVENT | THE PROCTOR & GAMBLE COMPANY (US) | 1997-05-13 | — | — | US | disclosed |
| CN-1148868-A | Detergent compositions comprising lipoxygenase | PROCTER & GAMBLE (US) | 1997-04-30 | — | — | CN | disclosed |