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 SCHEMBL1396697 | 1.00 | — | — | |
| Water SCHEMBL31376433 | 0.82 | — | — | |
| Water SCHEMBL7094419 | 0.82 | — | — | |
| Water SCHEMBL30534015 | 0.82 | — | — | |
| Iodide SCHEMBL19632 | 0.82 | — | — | |
| Water SCHEMBL31084134 | 0.82 | — | — | |
| Water SCHEMBL7094115 | 0.82 | — | — | |
| Water SCHEMBL11001372 | 0.82 | — | — | |
| Water SCHEMBL10400962 | 0.82 | — | — | |
| Water SCHEMBL8529108 | 0.82 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1660858-B | Process for preparation of dialkylphosphinic salts | CLARIANT GMBH | 2010-08-11 | — | — | CN | claimed |
| EP-0515880-B1 | High pore volume and pore diameter aluminium phosphate | GRACE W R & CO (US) | 1996-09-04 | — | — | EP | claimed |
| US-RE34911-E | Catalysts and catalyst supports; reacting aluminum salt and phosphate, neutralization, gelation, ion exchanging | W. R. GRACE & CO.-CONN. (US) | 1995-04-18 | — | — | US | claimed |
| US-5292701-A | High pore volume and pore diameter aluminum phosphate and method of making the same | W. R. GRACE & CO.-CONN. (US) | 1994-03-08 | — | — | US | claimed |
| EP-0515880-A1 | High pore volume and pore diameter aluminium phosphate | W.R. Grace & Co.-Conn. (US) | 1992-12-02 | — | — | EP | claimed |
| US-5030431-A | Reacting aluminum salts and phosphate salts, neutrilizing with base, exchanging with acetone, alcohol or ethyl acetate and drying | W. R. GRACE & CO.-CONN. (US) | 1991-07-09 | — | — | US | claimed |
| EP-2782594-B1 | METHOD FOR PREPARATION OF ALUMINUM HYDROXYPHOSPHATE ADJUVANT | MERCK SHARP & DOHME (US) | 2019-04-17 | — | — | EP | disclosed |
| US-9573811-B2 | Method for preparation of aluminum hydroxyphosphate adjuvant | MERCK SHARP & DOHME CORP. (US) | 2017-02-21 | — | — | US | disclosed |
| US-20140314653-A1 | METHOD FOR PREPARATION OF ALUMINUM HYDROXYPHOSPHATE ADJUVANT | MERCK SHARP & DOHME LLC | 2014-10-23 | — | — | US | disclosed |
| EP-2782594-A1 | METHOD FOR PREPARATION OF ALUMINUM HYDROXYPHOSPHATE ADJUVANT | Merck Sharp & Dohme Corp. (US) | 2014-10-01 | — | — | EP | disclosed |
| WO-2013078102-A1 | METHOD FOR PREPARATION OF ALUMINUM HYDROXYPHOSPHATE ADJUVANT | MERCK SHARP & DOHME CORP. (US) | 2013-05-30 | — | — | WO | disclosed |
| EP-0515880-B1 | High pore volume and pore diameter aluminium phosphate | GRACE W R & CO (US) | 1996-09-04 | — | — | EP | disclosed |
| US-RE34911-E | Catalysts and catalyst supports; reacting aluminum salt and phosphate, neutralization, gelation, ion exchanging | W. R. GRACE & CO.-CONN. (US) | 1995-04-18 | — | — | US | disclosed |
| US-5292701-A | High pore volume and pore diameter aluminum phosphate and method of making the same | W. R. GRACE & CO.-CONN. (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0515880-A1 | High pore volume and pore diameter aluminium phosphate | W.R. Grace & Co.-Conn. (US) | 1992-12-02 | — | — | EP | disclosed |
| EP-0215336-B1 | HIGH PORE VOLUME ALUMINUM PHOSPHATE | W.R. Grace & Co.-Conn. (US) | 1992-02-05 | — | — | EP | disclosed |
| US-5030431-A | Reacting aluminum salts and phosphate salts, neutrilizing with base, exchanging with acetone, alcohol or ethyl acetate and drying | W. R. GRACE & CO.-CONN. (US) | 1991-07-09 | — | — | US | disclosed |
| EP-0215336-A1 | High pore volume aluminum phosphate | W.R. Grace & Co.-Conn. (US) | 1987-03-25 | — | — | EP | disclosed |
| US-RE29212-E | ALUMINIZING | ALLOY SURFACES COMPANY, INC. (US) | 1977-05-10 | — | — | US | disclosed |
| US-3936539-A | PACK ALUMINIZING, ALUMINUM HALIDE ENERGIZER | ALLOY SURFACES COMPANY, INC. (US) | 1976-02-03 | — | — | US | disclosed |