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 | |
|---|---|---|---|---|
| SCHEMBL238622 | 0.97 | — | — | |
| SCHEMBL9540609 | 0.97 | — | — | |
| Sulfuric Acid SCHEMBL10682233 | 0.89 | MAPT (0.44) | — | |
| Glycolic Acid SCHEMBL10785328 | 0.87 | MAPT (0.43) | — | |
| SCHEMBL9338966 | 0.85 | TSHR (0.42) | — | |
| Water SCHEMBL1079113 | 0.82 | — | — | |
| SCHEMBL36139 | 0.79 | MAPT (0.69) | — | |
| SCHEMBL5167665 | 0.79 | TSHR (0.54) | — | |
| SCHEMBL19273 | 0.79 | — | — | |
| SCHEMBL6885967 | 0.79 | MAPT (0.69) | — |
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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1637538-B1 | CRYSTALLINE CARBAPENEM INTERMEDIATE | MEIJI SEIKA PHARMA CO LTD (JP) | 2011-08-10 | — | — | EP | disclosed |
| US-7563901-B2 | Intermediates of 2-substituted carbapenem derivatives and process for production thereof | MEIJI SEIKA KAISHA, LTD. (JP) | 2009-07-21 | — | — | US | disclosed |
| US-7524951-B2 | Intermediates of 2-substituted carbapenem derivatives and process for production thereof | MEIJI SEIKA KAISHA, LTD. (JP) | 2009-04-28 | — | — | US | disclosed |
| US-20090082571-A1 | Intermediates of 2-substituted carbapenem derivatives and process for production thereof | SASAKI TOSHIRO | 2009-03-26 | — | — | US | disclosed |
| US-7482445-B2 | Crystalline carbapenem intermediate | MEIJI SEIKA KAISHA, LTD. (JP) | 2009-01-27 | — | — | US | disclosed |
| US-7468364-B2 | Carbapenem compounds | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2008-12-23 | — | — | US | disclosed |
| CN-101255171-A | Intermediates of 2-substituted carbapenem derivatives and process for production thereof | MEIJI SEIKA KAISHA (JP) | 2008-09-03 | — | — | CN | disclosed |
| US-20080167475-A1 | Intermediates of 2-substituted carbapenem derivatives and process for production thereof | SASAKI TOSHIRO | 2008-07-10 | — | — | US | disclosed |
| US-20080076917-A1 | Intermediates of 2-Substituted Carbapenem Derivatives and Process for Production Thereof | MEIJI SEIKA KAISHA, LTD. (JP) | 2008-03-27 | — | — | US | disclosed |
| CN-1330652-C | Novel carbapenem compounds | SUMITOMO PHARMA (JP) | 2007-08-08 | — | — | CN | disclosed |
| EP-0061205-B1 | 2-PENEM COMPOUNDS; A METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | SCHERING CORPORATION (US) | 1986-03-12 | — | — | EP | disclosed |
| EP-0140866-A1 | Production of high purity alkyl glyoxylate | Monsanto Company (US) | 1985-05-08 | — | — | EP | disclosed |
| US-4502923-A | AT VARYING PRESSURES | MONSANTO COMPANY (US) | 1985-03-05 | — | — | US | disclosed |
| US-4423055-A | 6-Substituted-hydrocarbon-2-(substituted-thio)penem-3-carboxylic acids | SCHERING CORPORATION (US) | 1983-12-27 | — | — | US | disclosed |
| EP-0013662-B1 | 2-PENEM COMPOUNDS, A METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | SCHERING CORPORATION (US) | 1983-04-13 | — | — | EP | disclosed |
| EP-0013663-B1 | PROCESS FOR REMOVING AN ALLYLIC GROUP FROM ALLYLIC ESTERS, CARBONATES AND CARBAMATES | SCHERING CORPORATION (US) | 1982-11-17 | — | — | EP | disclosed |
| EP-0061205-A1 | 2-Penem compounds; a method for their preparation and pharmaceutical compositions comprising them | SCHERING CORPORATION (US) | 1982-09-29 | — | — | EP | disclosed |
| US-4314942-A | Deprotection of allylic esters, carbonates and carbamates catalyzed by palladium compounds | SCHERING CORPORATION (US) | 1982-02-09 | — | — | US | disclosed |
| EP-0013663-A1 | Process for removing an allylic group from allylic esters, carbonates and carbamates | SCHERING CORPORATION (US) | 1980-07-23 | — | — | EP | disclosed |
| EP-0013662-A1 | 2-Penem compounds, a method for their preparation and pharmaceutical compositions comprising them | SCHERING CORPORATION (US) | 1980-07-23 | — | — | EP | disclosed |