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 | |
|---|---|---|---|---|
| SCHEMBL458317 | 0.97 | — | — | |
| SCHEMBL21744 | 0.91 | — | — | |
| SCHEMBL5364598 | 0.85 | — | — | |
| SCHEMBL21091 | 0.80 | — | — | |
| SCHEMBL329816 | 0.67 | LMNA (0.35) | — | |
| SCHEMBL147817 | 0.67 | — | — | |
| SCHEMBL1426652 | 0.65 | — | — | |
| SCHEMBL5069577 | 0.65 | — | — | |
| SCHEMBL11274411 | 0.62 | ESR1 (0.39) | — | |
| Water SCHEMBL10576607 | 0.61 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5612305-A | Mixed surfactant systems for low foam applications | HUNTSMAN PETROCHEMICAL CORPORATION (US) | 1997-03-18 | — | — | US | disclosed |
| US-5498378-A | MIXING WAX WITH HYDROPHOBIC SILICA; HEATING, MELTING, DISPERSING WITH ACTIVE MATERIAL, ATOMIZING, COOLING; ENCAPSULATION | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1996-03-12 | — | — | US | disclosed |
| WO-1994005763-A1 | LIQUID AUTOMATIC DISHWASHING COMPOSITION | UNILEVER N.V. (NL) | 1994-03-17 | — | — | WO | disclosed |
| US-5281351-A | Adding aqueous antiscalant agent to sodium carbonate, adding sodium sulfate, nonionic surfactant, spraying sodium silicate into mixture, fluidizing, adding builders, halogen bleaching agent | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1994-01-25 | — | — | US | disclosed |
| EP-0551670-A1 | Processes for preparing powdered detergent compositions | UNILEVER N.V. (NL) | 1993-07-21 | — | — | EP | disclosed |
| EP-0550087-A1 | Liquid automatic dishwashing composition | UNILEVER N.V. (NL) | 1993-07-07 | — | — | EP | disclosed |
| EP-0479370-A2 | Liquid detergent compositions | UNILEVER N.V. (NL) | 1992-04-08 | — | — | EP | disclosed |
| US-5089162-A | Liquid or grains, lemon scent, yellow color; automatic dishwasher detergent | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1992-02-18 | — | — | US | disclosed |
| US-4973419-A | DISHWASHER DETERGENTS | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1990-11-27 | — | — | US | disclosed |
| US-4877544-A | NONIONIC SURFACTANT, OXIDIZING AGENT AND BUILDER | LEVER BROTHERS COMPANY (US) | 1989-10-31 | — | — | US | disclosed |
| EP-0337760-A2 | Detergent compositions | UNILEVER PLC (GB) | 1989-10-18 | — | — | EP | disclosed |
| EP-0133335-B1 | STABILIZED BLEACH-SENSITIVE DYES IN AUTOMATIC DISHWASHER DETERGENT COMPOSITIONS | UNILEVER N.V. (NL) | 1987-04-01 | — | — | EP | disclosed |
| EP-0133335-A1 | Stabilized bleach-sensitive dyes in automatic dishwasher detergent compositions | UNILEVER N.V. (NL) | 1985-02-20 | — | — | EP | disclosed |
| US-4464281-A | PRECONDITIONED BY AIR FLOW | LEVER BROTHERS COMPANY (US) | 1984-08-07 | — | — | US | disclosed |