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 | |
|---|---|---|---|---|
| Water SCHEMBL1701055 | 0.95 | — | — | |
| Water SCHEMBL28649721 | 0.95 | — | — | |
| Water SCHEMBL29389571 | 0.95 | — | — | |
| Water SCHEMBL27205421 | 0.95 | — | — | |
| SCHEMBL11227554 | 0.94 | — | — | |
| SCHEMBL33414 | 0.94 | — | — | |
| SCHEMBL18335731 | 0.89 | — | — | |
| Potassium SCHEMBL10941830 | 0.89 | — | — | |
| SCHEMBL3762969 | 0.89 | — | — | |
| SCHEMBL28799864 | 0.89 | — | — |
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-20170088705-A1 | NANO CRYSTALLINE CELLULOSE IN CONSTRUCTION APPLICATIONS | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) | 2017-03-30 | — | — | US | disclosed |
| US-5545344-A | PHOSPHATE-FREE; CONTAINS AT LEAST ONE PROTEASE ENZYME AND AN AMYLASE ENZYME | COLGATE-PALMOLIVE CO. (US) | 1996-08-13 | — | — | US | disclosed |
| US-5510048-A | ETHOXYLATED FATTY ALCOHOL NONIONIC SURFACTANT, POLYETHYLENE GLYCOL CARRIER, ALKALI METAL CARBONATE, ANTIFOAMING AGENT, PROTEASE AND AMYLASE ENZYMES, SODIUM DISILICATE, FINELY DIVIDED FUMED SILICA, NONCROSSLINKED ACRYLATE POLYMER | COLGATE PALMOLIVE CO. (US) | 1996-04-23 | — | — | US | disclosed |
| EP-0510762-B1 | Liquid cleaning products | UNILEVER NV (NL) | 1996-03-06 | — | — | EP | disclosed |
| EP-0518721-B1 | Nonaqueous liquid, phosphate-free automatic dishwashing composition containing enzymes | COLGATE PALMOLIVE CO (US) | 1995-08-02 | — | — | EP | disclosed |
| US-5423997-A | Stable concentrate containing protease and amylase enzymes | COLGATE PALMOLIVE CO. (US) | 1995-06-13 | — | — | US | disclosed |
| EP-0640684-A1 | Spray dried powdered automatic dishwashing composition containing enzymes | Colgate-Palmolive Company (US) | 1995-03-01 | — | — | EP | disclosed |
| EP-0513060-B1 | METHOD FOR ELIMINATING THE ALKALI-AGGREGATE REACTION IN CONCRET AND CEMENT THEREBY OBTAINED | DAVIDOVITS JOSEPH (FR) | 1994-12-14 | — | — | EP | disclosed |
| US-5173207-A | Protease enzyme and amylase enzyme, nonionic surfactants, alkali metal silicate | COLGATE-PALMOLIVE COMPANY (US) | 1992-12-22 | — | — | US | disclosed |
| EP-0518721-A1 | Nonaqueous liquid, phosphate-free automatic dishwashing composition containing enzymes | Colgate-Palmolive Company (US) | 1992-12-16 | — | — | EP | disclosed |
| US-5169553-A | Liquid detergent consisting of nonionic surfactant, carrier, alkali metal carbonate, citrate and silicate, protease, amylase; storage stability, chemical resistance | COLGATE PALMOLIVE COMPANY (US) | 1992-12-08 | — | — | US | disclosed |
| EP-0516553-A2 | Powdered automatic dishwashing composition containing enzymes | Colgate-Palmolive Company (US) | 1992-12-02 | — | — | EP | disclosed |
| EP-0513060-A1 | METHOD FOR ELIMINATING THE ALKALI-AGGREGATE REACTION IN CONCRET AND CEMENT THEREBY OBTAINED. | DAVIDOVITS JOSEPH (FR) | 1992-11-19 | — | — | EP | disclosed |
| EP-0510762-A2 | Liquid cleaning products | UNILEVER N.V. (NL) | 1992-10-28 | — | — | EP | disclosed |
| WO-1991011405-A1 | METHOD FOR ELIMINATING THE ALKALI-AGGREGATE REACTION IN CONCRET AND CEMENT THEREBY OBTAINED | DAVIDOVITS JOSEPH (FR) | 1991-08-08 | — | — | WO | disclosed |
| US-4034129-A | TWO LAYER LAMINATES, SEMICONDUCTOR PIGMENTS, ALKALI METAL SILICATES, HEAT TREATMENT | ROHM AND HAAS COMPANY (US) | 1977-07-05 | — | — | US | disclosed |