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 | |
|---|---|---|---|---|
| SCHEMBL168361 | 0.97 | — | — | |
| SCHEMBL3650532 | 0.97 | — | — | |
| SCHEMBL48364 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL19359380 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL19359427 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL17873779 | 0.95 | — | — | |
| Hydrogen Peroxide SCHEMBL9062435 | 0.92 | MAP3K14 (0.46) | — | |
| Piperazine SCHEMBL6933612 | 0.88 | MAP3K14 (0.43) | — | |
| Succinic Acid SCHEMBL28620130 | 0.81 | ITGB1 (0.38) | — | |
| SCHEMBL9632941 | 0.72 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007145994-A2 | COPOLYMERS OF AMINO ACIDS, METHODS OF THEIR PRODUCTION, AND USES THEREOF IN PERSONAL CARE PRODUCTS | AQUERO COMPANY, LLC (US) | 2007-12-21 | — | — | WO | disclosed |
| US-20070015901-A1 | Copolymers of amino acids and methods of their production | SIKES C S | 2007-01-18 | — | — | US | disclosed |
| US-20060287499-A1 | Copolymers of amino acids, methods of their production, and uses thereof | AQUERO COMPANY | 2006-12-21 | — | — | US | disclosed |
| US-7091305-B2 | Copolymers of amino acids and methods of their production | AQUERO COMPANY (US) | 2006-08-15 | — | — | US | disclosed |
| US-20050065316-A1 | Copolymers of amino acids and methods of their production | AQUERO COMPANY | 2005-03-24 | — | — | US | disclosed |
| EP-1506250-A1 | COPOLYMERS OF AMINO ACIDS AND METHODS OF THEIR PRODUCTION | Aquero Company LLC (US) | 2005-02-16 | — | — | EP | disclosed |
| US-6825313-B2 | WATER SOLUBILITY | AQUERO COMPANY | 2004-11-30 | — | — | US | disclosed |
| US-20040006198-A1 | Copolymers of amino acids and methods of their production | AQUERO COMPANY | 2004-01-08 | — | — | US | disclosed |
| WO-2003095525-A1 | COPOLYMERS OF AMINO ACIDS AND METHODS OF THEIR PRODUCTION | AQUERO COMPANY LLC (US) | 2003-11-20 | — | — | WO | disclosed |