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 | |
|---|---|---|---|---|
| SCHEMBL66245 | 0.97 | — | — | |
| SCHEMBL10453181 | 0.93 | — | — | |
| SCHEMBL735923 | 0.93 | — | — | |
| Phosphine SCHEMBL27628417 | 0.93 | — | — | |
| SCHEMBL29129772 | 0.93 | — | — | |
| SCHEMBL10454402 | 0.93 | — | — | |
| SCHEMBL10453184 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL29129755 | 0.93 | — | — | |
| SCHEMBL30719906 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL27806296 | 0.93 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106370756-B | A kind of detection method of Chinese materia medica preparation that preventing and treating infectious bronchitis of chicken | 中悦民安（北京）科技发展有限公司 | 2019-03-12 | — | — | CN | claimed |
| CN-106370756-B | A kind of detection method of Chinese materia medica preparation that preventing and treating infectious bronchitis of chicken | 中悦民安（北京）科技发展有限公司 | 2019-03-12 | — | — | CN | disclosed |
| EP-2961749-A1 | PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE | Amgen Inc. (US) | 2016-01-06 | — | — | EP | disclosed |
| WO-2015017407-A1 | BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA- SECRETASE | AMGEN INC. (US) | 2015-02-05 | — | — | WO | disclosed |
| WO-2014134341-A1 | PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE | AMGEN INC. (US) | 2014-09-04 | — | — | WO | disclosed |
| WO-2014120658-A1 | FUSED MULTICYCLIC 3-AMINO-5,6-DIHYDRO-2H-1,4-THIAZINE DERIVATIVES AND THEIR USE AS BETA-SECRETASE INHIBITORS | AMGEN INC. (US) | 2014-08-07 | — | — | WO | disclosed |
| WO-2014059185-A1 | AMINO - DIHYDROTHIAZINE AND AMINO - DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE | AMGEN INC. (US) | 2014-04-17 | — | — | WO | disclosed |
| EP-2264036-A1 | Amino-imidazolones for the inhibition of beta-secretase | Wyeth LLC (Formerly Known As Wyeth) (US) | 2010-12-22 | — | — | EP | disclosed |
| US-7557211-B2 | 8H-imidazo[4,5-D]thiazolo[4,5-B]pyridine based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-07-07 | — | — | US | disclosed |
| EP-1836208-A2 | AMINO-IMIDAZOLONES FOR THE INHIBITION OF ß-SECRETASE | Wyeth Incoporated (US) | 2007-09-26 | — | — | EP | disclosed |
| WO-2006076284-A2 | AMINO-IMIDAZOLONES FOR THE INHIBITION OF ß-SECRETASE | WYETH (US) | 2006-07-20 | — | — | WO | disclosed |
| US-20060128741-A1 | 8H-imidazo[4,5-D]thiazolo[4,5-B]pyridine based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY | 2006-06-15 | — | — | US | disclosed |
| WO-2006053166-A1 | 8H-IMIDAZO[4,5-D]THIAZOLO[4,5-B]PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-05-18 | — | — | WO | disclosed |
| EP-0606046-B1 | Arylsulfonamido-substituted hydroxamic acids | CIBA GEIGY AG (CH) | 1997-10-08 | — | — | EP | disclosed |
| EP-0772601-A1 | 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-05-14 | — | — | EP | disclosed |
| WO-1996003387-A1 | 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-02-08 | — | — | WO | disclosed |
| EP-0606046-A1 | Arylsulfonamido-substituted hydroxamic acids | CIBA-GEIGY AG (CH) | 1994-07-13 | — | — | EP | disclosed |
| WO-1992003415-A1 | PROTEIN KINASE C MODULATORS | NOVA PHARMACEUTICAL CORPORATION (US) | 1992-03-05 | — | — | WO | disclosed |