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 | |
|---|---|---|---|---|
| SCHEMBL13130521 | 0.95 | — | — | |
| SCHEMBL7376 | 0.95 | — | — | |
| SCHEMBL19030636 | 0.95 | ALDH1A1 (0.46) | — | |
| SCHEMBL7219901 | 0.95 | — | — | |
| SCHEMBL7639307 | 0.91 | — | — | |
| SCHEMBL15674804 | 0.91 | — | — | |
| Isopropyl Alcohol SCHEMBL5482275 | 0.91 | — | — | |
| Methyl Alcohol SCHEMBL6901545 | 0.91 | — | — | |
| SCHEMBL31406917 | 0.91 | ALDH1A1 (0.42) | — | |
| SCHEMBL31255936 | 0.91 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE39916-E1 | Compounds that modulate PPAR activity and methods for their preparation | WARNER LAMBERT COMPANY (US) | 2007-11-06 | — | — | US | disclosed |
| US-7244763-B2 | Compounds that modulate PPAR activity and methods of preparation | WARNER LAMBERT COMPANY LLC (US) | 2007-07-17 | — | — | US | disclosed |
| EP-1620086-A1 | COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION | Warner-Lambert Company LLC (US) | 2006-02-01 | — | — | EP | disclosed |
| US-6964983-B2 | Compounds that modulate PPAR activity and methods for their preparation | WARNER-LAMBERT COMPANY, LLC (US) | 2005-11-15 | — | — | US | disclosed |
| US-6939875-B2 | Carbocyclic oxy sulfides such as [4-(Biphenyl-4-ylmethylsulfanyl)-5-methoxy-2-methyl-phenoxy]-acetic acid, used to control peroxisome proliferator activated receptors (PPAR), for prophylaxis of metabolic disorders | WARNER-LAMBERT COMPANY (US) | 2005-09-06 | — | — | US | disclosed |
| US-20050153996-A1 | COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION | AUERBACH BRUCE J (US) | 2005-07-14 | — | — | US | disclosed |
| US-20050113440-A1 | Compounds that modulate PPAR activity and methods for their preparation | AUERBACH BRUCE J (US) | 2005-05-26 | — | — | US | disclosed |
| US-6875780-B2 | Compounds that modulate PPAR activity and methods for their preparation | WARNER-LAMBERT COMPANY (US) | 2005-04-05 | — | — | US | disclosed |
| EP-1494989-A2 | COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION | WARNER-LAMBERT COMPANY LLC (US) | 2005-01-12 | — | — | EP | disclosed |
| WO-2004091604-A1 | COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION | WARNER-LAMBERT COMPANY LLC (US) | 2004-10-28 | — | — | WO | disclosed |
| US-20040209936-A1 | Compounds that modulate PPAR activity and methods of preparation | BRATTON LARRY D (US) | 2004-10-21 | — | — | US | disclosed |
| US-20030225158-A1 | Compounds that modulate PPAR activity and methods for their preparation | WARNER-LAMBERT COMPANY | 2003-12-04 | — | — | US | disclosed |
| WO-2003084916-A2 | COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION | WARNER-LAMBERT COMPANY LLC (US) | 2003-10-16 | — | — | WO | disclosed |
| US-5403852-A | Antiinflammatory agents | LABORATOIRE ROGER BELLON (FR) | 1995-04-04 | — | — | US | disclosed |