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 SCHEMBL8588254 | 1.00 | — | — | |
| Water SCHEMBL1720466 | 1.00 | — | — | |
| Water SCHEMBL19124532 | 0.87 | — | — | |
| Water SCHEMBL338988 | 0.87 | — | — | |
| Water SCHEMBL27174255 | 0.87 | — | — | |
| Water SCHEMBL23832323 | 0.87 | — | — | |
| Water SCHEMBL30959700 | 0.87 | — | — | |
| Water SCHEMBL23832328 | 0.87 | — | — | |
| Water SCHEMBL21145587 | 0.87 | — | — | |
| Water SCHEMBL9015730 | 0.82 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113603622-B | Method and device for preparing L-selenium-methylselenocysteine by reduction of zinc and iron | 暨南大学 | 2023-06-09 | — | — | CN | disclosed |
| CN-113603622-A | Method and device for preparing L-selenium-methyl selenocysteine by reducing zinc and iron | 暨南大学 | 2021-11-05 | — | — | CN | disclosed |
| EP-2628730-B1 | TELESCOPING SYNTHESIS OF 5-AMINO-4-NITROSO-1-ALKYL-1H-PYRAZOLE SALTS | NOXELL CORP (US) | 2017-12-06 | — | — | EP | disclosed |
| US-8785656-B2 | Telescoping synthesis of 5-amino-4-nitroso-1-alkyl-1H-pyrazole salt | THE PROCTER & GAMBLE COMPANY (US) | 2014-07-22 | — | — | US | disclosed |
| US-20130217891-A1 | Telescoping Synthesis of 5-Amino-4-Nitroso-1-Alkyl-1H-Pyrazole Salt | THE PROCTER & GAMBLE COMPANY (US) | 2013-08-22 | — | — | US | disclosed |
| WO-2013122989-A1 | TELESCOPING SYNTHESIS OF 5-AMINO-4-NITROSO-1-ALKYL-1H-PYRAZOLE SALTS | THE PROCTER & GAMBLE COMPANY (US) | 2013-08-22 | — | — | WO | disclosed |
| EP-2628730-A1 | Telescoping synthesis of 5-amino-4-nitroso-1-alkyl-1H-pyrazole salts | The Procter and Gamble Company (US) | 2013-08-21 | — | — | EP | disclosed |
| EP-0603889-B1 | Process for the preparation of lactic acid polyesters | MITSUI CHEMICALS INC (JP) | 2003-08-13 | — | — | EP | disclosed |
| US-5440008-A | Condensation polymerization of hydroxycarboxylic acids in vertical reactor with ribbon stirrer, having flow pattern along walls in opposite direction to flow along axis of stirrer | MITSUI TOATSU CHEMICALS, INC. (JP) | 1995-08-08 | — | — | US | disclosed |
| EP-0603889-A2 | Process for the preparation of lactic acid polyesters | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1994-06-29 | — | — | EP | disclosed |