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 SCHEMBL10976746 | 0.97 | — | — | |
| SCHEMBL6064 | 0.96 | — | — | |
| SCHEMBL11148671 | 0.93 | ALDH1A1 (0.30) | — | |
| SCHEMBL120534 | 0.93 | — | — | |
| SCHEMBL11144949 | 0.93 | ALDH1A1 (0.30) | — | |
| SCHEMBL1600341 | 0.93 | — | — | |
| SCHEMBL2646596 | 0.93 | ALDH1A1 (0.30) | — | |
| SCHEMBL176950 | 0.89 | — | — | |
| SCHEMBL7766444 | 0.82 | — | — | |
| SCHEMBL12001 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8628759-B2 | Soft anticholinergic esters | BODOR LABORATORIES, INC. (US) | 2014-01-14 | — | — | US | disclosed |
| US-8568699-B2 | Soft anticholinergic zwitterions | BODOR LABORATORIES, INC. | 2013-10-29 | — | — | US | disclosed |
| US-20120177590-A1 | SOFT ANTICHOLINERGIC ESTERS | BODOR LABORATORIES, INC. | 2012-07-12 | — | — | US | disclosed |
| US-20120141401-A1 | SOFT ANTICHOLINERGIC ZWITTERIONS | BODOR LABORATORIES, INC. | 2012-06-07 | — | — | US | disclosed |
| US-8147809-B2 | Soft anticholinergic esters | BODOR LABORATORIES, INC. | 2012-04-03 | — | — | US | disclosed |
| US-8071639-B2 | Soft anticholinergic zwitterions | BODOR LABORATORIES, INC. | 2011-12-06 | — | — | US | disclosed |
| US-20090263341-A1 | SOFT ANTICHOLINERGIC ESTERS | BODOR LABORATORIES, INC. | 2009-10-22 | — | — | US | disclosed |
| US-20090257969-A1 | SOFT ANTICHOLINERGIC ZWITTERIONS | BODOR LABORATORIES, INC. | 2009-10-15 | — | — | US | disclosed |
| US-7576210-B2 | side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives; 6 beta ,7 beta -epoxy-3 beta -hydroxy-8-ethoxycarbonylmethyl-8-methyl-1 alpha H,5 alpha H-tropanium bromide, di-2-thienylglycolate | BODOR LABORATORIES, INC. | 2009-08-18 | — | — | US | disclosed |
| US-7538219-B2 | 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent | BODOR LABORATORIES, INC. | 2009-05-26 | — | — | US | disclosed |
| US-20090075954-A1 | side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives; 6 beta ,7 beta -epoxy-3 beta -hydroxy-8-ethoxycarbonylmethyl-8-methyl-1 alpha H,5 alpha H-tropanium bromide, di-2-thienylglycolate | BODOR LABORATORIES, INC. | 2009-03-19 | — | — | US | disclosed |
| US-20080242651-A1 | 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent | BODOR LABORATORIES, INC. | 2008-10-02 | — | — | US | disclosed |
| US-7417147-B2 | muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent | BODOR LABORATORIES, INC. | 2008-08-26 | — | — | US | disclosed |
| EP-1957451-A1 | SOFT ANTICHOLINERGIC ZWITTERIONS | Bodor, Nicholas S. (US) | 2008-08-20 | — | — | EP | disclosed |
| EP-1948596-A2 | SOFT ANTICHOLINERGIC ESTERS | Bodor, Nicholas S. (US) | 2008-07-30 | — | — | EP | disclosed |
| US-7399861-B2 | side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives | BODOR LABORATORIES, INC. | 2008-07-15 | — | — | US | disclosed |
| US-20080027091-A1 | e.g. 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent | BODOR LABORATORIES, INC. | 2008-01-31 | — | — | US | disclosed |
| US-20070123557-A1 | side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives | BODOR LABORATORIES, INC. | 2007-05-31 | — | — | US | disclosed |
| WO-2007058971-A2 | SOFT ANTICHOLINERGIC ESTERS | BODOR NICHOLAS S (US) | 2007-05-24 | — | — | WO | disclosed |
| WO-2007059021-A1 | SOFT ANTICHOLINERGIC ZWITTERIONS | BODOR NICHOLAS S (US) | 2007-05-24 | — | — | WO | disclosed |