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 SCHEMBL7492545 | 1.00 | — | — | |
| Water SCHEMBL2929026 | 1.00 | — | — | |
| SCHEMBL1331944 | 0.94 | — | — | |
| SCHEMBL27912512 | 0.94 | MAPK1 (0.31) | — | |
| SCHEMBL7240952 | 0.94 | — | — | |
| SCHEMBL1296 | 0.94 | — | — | |
| SCHEMBL10940023 | 0.94 | — | — | |
| Methyl Alcohol SCHEMBL12474241 | 0.91 | TSHR (0.32) | — | |
| SCHEMBL14973371 | 0.89 | — | — | |
| SCHEMBL16345057 | 0.89 | — | — |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1242099-B1 | METHOD FOR INACTIVATING INFECTIOUS AGENTS IN BIOLOGICAL FLUIDS | LILLY CO ELI (US) | 2011-10-05 | — | — | EP | claimed |
| US-20240182463-A1 | SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG | SHIONOGI & CO., LTD. (JP) | 2024-06-06 | — | — | US | disclosed |
| CN-110520433-B | Phosphorus-containing phenol compound, phosphorus-containing epoxy resin, curable resin composition or epoxy resin composition, and cured product thereof | 日铁化学材料株式会社 | 2023-12-05 | — | — | CN | disclosed |
| CN-111491941-B | Novel alkyl diphenyl methane protective agent | 积水医疗株式会社 | 2023-08-08 | — | — | CN | disclosed |
| WO-2022208663-A1 | WAVELENGTH CONVERSION MEMBER, BACKLIGHT UNIT, IMAGE DISPLAY DEVICE, AND CURABLE COMPOSITION | 昭和電工マテリアルズ株式会社 | 2022-10-06 | — | — | WO | disclosed |
| CN-114127069-A | Process for producing phenol derivative | 日本化学药品株式会社 | 2022-03-01 | — | — | CN | disclosed |
| CN-111094498-B | Silicone adhesive composition and adhesive tape | 株式会社寺冈制作所 | 2022-02-01 | — | — | CN | disclosed |
| CN-108368413-B | Adhesive composition and adhesive tape | 株式会社寺冈制作所 | 2021-02-02 | — | — | CN | disclosed |
| US-20200339565-A1 | PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2020-10-29 | — | — | US | disclosed |
| CN-107004811-B | Separator for secondary battery, method for producing separator for secondary battery, and secondary battery | 东丽株式会社 | 2020-10-23 | — | — | CN | disclosed |
| US-5455363-A | Having trityl as amide-protecting group for asparagine and glutamine; reduced side reaction | GOSTELI JACQUES (CH) | 1995-10-03 | — | — | US | disclosed |
| US-5420278-A | ω-(4-aryl or heteroarylpiperazine-1-yl)-2-aryl or aralkyl-propanoic or butanoic acids | JOHN WYETH & BROTHER, LIMITED (GB) | 1995-05-30 | — | — | US | disclosed |
| US-5382583-A | Hydroxytryptamine antagonists | JOHN WYETH & BROTHER, LIMITED (GB) | 1995-01-17 | — | — | US | disclosed |
| US-5364849-A | Treatment of anxiety | JOHN WYETH & BROTHER, LIMITED (GB) | 1994-11-15 | — | — | US | disclosed |
| US-5340812-A | Antiserotonin. anxiolytic agents | JOHN WYETH & BROTHER, LIMITED (GB) | 1994-08-23 | — | — | US | disclosed |
| CN-1018367-B | Process for producing ethers | MOBIL OIL CORP (US) | 1992-09-23 | — | — | CN | disclosed |
| CN-1034705-A | Produce the method for ether | MOBIL OIL CORP (US) | 1989-08-16 | — | — | CN | disclosed |
| EP-0309177-A1 | Ether synthesis with zeolite beta | MOBIL OIL CORPORATION (US) | 1989-03-29 | — | — | EP | disclosed |
| US-4426519-A | ANTIBIOTICS | ROUSSEL UCLAF (FR) | 1984-01-17 | — | — | US | disclosed |
| US-4328225-A | ANTIBIOTIC | ROUSSEL UCLAF (FR) | 1982-05-04 | — | — | US | disclosed |