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 SCHEMBL18393510 | 1.00 | — | — | |
| Water SCHEMBL9421840 | 0.87 | — | — | |
| SCHEMBL506461 | 0.87 | — | — | |
| Water SCHEMBL17472953 | 0.87 | — | — | |
| Water SCHEMBL8165130 | 0.87 | — | — | |
| Water SCHEMBL1177665 | 0.87 | — | — | |
| Water SCHEMBL3759628 | 0.87 | — | — | |
| Water SCHEMBL3783015 | 0.87 | — | — | |
| Water SCHEMBL8166518 | 0.87 | — | — | |
| SCHEMBL11780801 | 0.87 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9233877-B2 | Plaster patching compositions and methods for making and using same | BRENNAN RORY (US) | 2016-01-12 | — | — | US | claimed |
| US-20140261091-A1 | PLASTER PATCHING COMPOSITIONS AND METHODS FOR MAKING AND USING SAME | BRENNAN RORY (US) | 2014-09-18 | — | — | US | claimed |
| US-9233877-B2 | Plaster patching compositions and methods for making and using same | BRENNAN RORY (US) | 2016-01-12 | — | — | US | disclosed |
| US-20140261091-A1 | PLASTER PATCHING COMPOSITIONS AND METHODS FOR MAKING AND USING SAME | BRENNAN RORY (US) | 2014-09-18 | — | — | US | disclosed |
| US-20080221236-A1 | Furanic grouts | BATTELLE MEMORIAL INSTITUTE | 2008-09-11 | — | — | US | disclosed |
| EP-0120983-B1 | SCALE INHIBITOR FOR REVERSE OSMOSIS WATER PURIFICATION SYSTEM | The B.F. GOODRICH Company (US) | 1987-03-25 | — | — | EP | disclosed |
| US-4496470-A | FOR REVERSE OSMOSIS WATER TREATMENT MEMBRANES | THE B. F. GOODRICH COMPANY (US) | 1985-01-29 | — | — | US | disclosed |
| US-4460472-A | Scale inhibitor for reverse osmosis water purification system | THE B. F. GOODRICH COMPANY (US) | 1984-07-17 | — | — | US | disclosed |
| US-4386005-A | Scale inhibitor for reverse osmosis water purification system | CHEMICAL SCIENCES, INC. (US) | 1983-05-31 | — | — | US | disclosed |
| EP-0069150-A1 | CLEANING COMPOSITION | CHEMICAL SCIENCES, INC. (US) | 1983-01-12 | — | — | EP | disclosed |
| US-4357254-A | MONO- AND DIBASIC SODIUM OR POTASSIUM PHOSPHATE, CITRIC OR MALEIC ACID, NONIONIC SURFACTANT | CHEMICAL SCIENCES, INC. (US) | 1982-11-02 | — | — | US | disclosed |
| WO-1982002379-A1 | CLEANING COMPOSITION | CHEMICAL SCIENCES INC (US) | 1982-07-22 | — | — | WO | disclosed |