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 | |
|---|---|---|---|---|
| SCHEMBL2069806 | 0.93 | — | — | |
| SCHEMBL106730 | 0.93 | — | — | |
| SCHEMBL28981418 | 0.86 | — | — | |
| SCHEMBL28274494 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL9114125 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL28065951 | 0.86 | — | — | |
| Hydrogen Sulfide SCHEMBL29281764 | 0.86 | — | — | |
| SCHEMBL28265350 | 0.76 | — | — | |
| Water SCHEMBL27094333 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28005754 | 0.72 | — | — |
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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115490690-A | Preparation method for continuous flow production of tofacitinib key intermediate (compound I) | 安徽海康药业有限责任公司 | 2022-12-20 | — | — | CN | claimed |
| CN-115010700-A | Imamine preparation method based on fixed bed catalytic process | 安徽海康药业有限责任公司 | 2022-09-06 | — | — | CN | claimed |
| CN-110483513-B | Fluorescent molecule, preparation method and application thereof, and fluorescence detection reagent | 湖北理工学院 | 2020-12-01 | — | — | CN | claimed |
| CN-111995805-A | Cable for oil platform | 李坤 | 2020-11-27 | — | — | CN | claimed |
| CN-110127670-A | A kind of graphene three-dimensional structure aeroge hydrophobic material | 宿迁南航新材料与装备制造研究院有限公司 | 2019-08-16 | — | — | CN | claimed |
| CN-106278926-B | The method that bianry alloy catalyzes and synthesizes 3- amino-4-methoxyacetanilide | 江苏大学 | 2019-04-30 | — | — | CN | claimed |
| CN-106278926-A | Bianry alloy catalyzes and synthesizes the method for 3 amino 4 p-methoxyacetanilides | 江苏大学 | 2017-01-04 | — | — | CN | claimed |
| CN-115490690-A | Preparation method for continuous flow production of tofacitinib key intermediate (compound I) | 安徽海康药业有限责任公司 | 2022-12-20 | — | — | CN | disclosed |
| CN-115490690-A | Preparation method for continuous flow production of tofacitinib key intermediate (compound I) | 安徽海康药业有限责任公司 | 2022-12-20 | — | — | CN | disclosed |
| CN-115010700-A | Imamine preparation method based on fixed bed catalytic process | 安徽海康药业有限责任公司 | 2022-09-06 | — | — | CN | disclosed |
| CN-115010700-A | Imamine preparation method based on fixed bed catalytic process | 安徽海康药业有限责任公司 | 2022-09-06 | — | — | CN | disclosed |
| CN-109650360-B | Method for continuously preparing nickel phosphide nanoparticles through micro-channel | 福州大学 | 2022-06-07 | — | — | CN | disclosed |
| CN-113070080-A | Method for continuously preparing phosphide nanoparticles with core-shell structure through micro-channel | 福州大学 | 2021-07-06 | — | — | CN | disclosed |
| CN-102050708-A | Liquid crystal compounds | MERCK PATENT GMBH | 2011-05-11 | — | — | CN | disclosed |
| EP-2300463-A1 | HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS | AstraZeneca AB (SE) | 2011-03-30 | — | — | EP | disclosed |
| WO-2009147433-A1 | HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS | ASTRAZENECA AB (SE) | 2009-12-10 | — | — | WO | disclosed |
| CN-101466725-A | Amino derivatives of androstanes and androstenes as medicaments for cardiovascular disorders | SIGMA TAU IND FARMACEUTI (IT) | 2009-06-24 | — | — | CN | disclosed |
| EP-1457550-B1 | Composition for removing residues from the microstructure of an object | AIR PROD & CHEM (US) | 2006-07-05 | — | — | EP | disclosed |
| EP-1358670-B1 | Process for removing residues from the microstructure of an object | KOBE STEEL LTD (JP) | 2006-07-05 | — | — | EP | disclosed |
| EP-1457550-A2 | Composition for removing residues from the microstructure of an object | KABUSHIKI KAISHA KOBE SEIKO SHO (JP) | 2004-09-15 | — | — | EP | disclosed |