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 | |
|---|---|---|---|---|
| SCHEMBL41660 | 0.91 | — | — | |
| SCHEMBL8853909 | 0.91 | — | — | |
| SCHEMBL30122687 | 0.83 | — | — | |
| SCHEMBL12149996 | 0.83 | — | — | |
| SCHEMBL27341056 | 0.83 | — | — | |
| SCHEMBL28957000 | 0.83 | — | — | |
| SCHEMBL28360972 | 0.83 | — | — | |
| Charcoal, Activated SCHEMBL9372046 | 0.83 | — | — | |
| Methane SCHEMBL27922933 | 0.83 | — | — | |
| Water SCHEMBL8587303 | 0.82 | ALDH1A1 (0.42) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5259993-A | Concentrate comprising an organophosporic ester surfactant, nonionic surfactant, polyoxyethylene oxide ether of alkyl phenol or alkanol and a solvent | COOK COMPOSITES AND POLYMERS CO. (US) | 1993-11-09 | — | — | US | claimed |
| US-4511489-A | ANIONIC OR NONTONIC SURFACTANT, FLUORINATED SURFACTANT, SILICONE OIL | THE DRACKETT COMPANY (US) | 1985-04-16 | — | — | US | claimed |
| US-8288583-B2 | Process for preparing carboxylic acid derivatives | EVONIK ROHMAX ADDITIVES GMBH (DE) | 2012-10-16 | — | — | US | disclosed |
| US-20090182145-A1 | PROCESS FOR PREPARING CARBOXYLIC ACID DERIVATIVES | EVONIK ROHMAX ADDITIVES GMBH (DE) | 2009-07-16 | — | — | US | disclosed |
| EP-1469828-A2 | OPHTHALMIC COMPOSITIONS INCLUDING OIL-IN-WATER EMULSIONS, AND METHODS FOR MAKING AND USING THE SAME | Allergan, Inc. (US) | 2004-10-27 | — | — | EP | disclosed |
| US-20030165545-A1 | Ophthalmic compositions including oil-in-water emulsions, and methods for making and using same | ALLERGAN, INC. | 2003-09-04 | — | — | US | disclosed |
| WO-2003063826-A2 | OPHTHALMIC COMPOSITIONS INCLUDING OIL-IN-WATER EMULSIONS, AND METHODS FOR MAKING AND USING THE SAME | ALLERGAN, INC. (US) | 2003-08-07 | — | — | WO | disclosed |
| EP-1084029-A4 | ELECTRONIC DEVICES HAVING THERMODYNAMIC ENCAPSULANT PORTIONS PREDOMINATING OVER THERMOSTATIC ENCAPSULANT PORTIONS | JACOBS RICHARD L (US) | 2003-05-14 | — | — | EP | disclosed |
| US-6492204-B1 | Electronic devices having thermodynamic encapsulant portions predominating over thermostatic encapsulant portions | JP OX ENGINEERING | 2002-12-10 | — | — | US | disclosed |
| EP-1084029-A2 | ELECTRONIC DEVICES HAVING THERMODYNAMIC ENCAPSULANT PORTIONS PREDOMINATING OVER THERMOSTATIC ENCAPSULANT PORTIONS | Jacobs, Richard L. (US) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999066856-A1 | DENTURE SYSTEM | CADCO DENTAL PRODUCTS, INC. (US) | 1999-12-29 | — | — | WO | disclosed |
| WO-1999038196-A2 | ELECTRONIC DEVICES HAVING THERMODYNAMIC ENCAPSULANT PORTIONS PREDOMINATING OVER THERMOSTATIC ENCAPSULANT PORTIONS | JACOBS RICHARD L (US) | 1999-07-29 | — | — | WO | disclosed |
| US-5582650-A | Process for cleaning parts soiled or encrusted with polyester resin | INTERNATIONAL PAPER COMPANY (US) | 1996-12-10 | — | — | US | disclosed |
| US-5259993-A | Concentrate comprising an organophosporic ester surfactant, nonionic surfactant, polyoxyethylene oxide ether of alkyl phenol or alkanol and a solvent | COOK COMPOSITES AND POLYMERS CO. (US) | 1993-11-09 | — | — | US | disclosed |
| US-5259993-A | Concentrate comprising an organophosporic ester surfactant, nonionic surfactant, polyoxyethylene oxide ether of alkyl phenol or alkanol and a solvent | COOK COMPOSITES AND POLYMERS CO. (US) | 1993-11-09 | — | — | US | disclosed |
| EP-0467472-A2 | Hard surface liquid cleaning composition with anti-soiling polymer | Colgate-Palmolive Company (US) | 1992-01-22 | — | — | EP | disclosed |