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 SCHEMBL28686127 | 1.00 | TAS2R38 (0.47) | — | |
| Water SCHEMBL16026410 | 1.00 | — | — | |
| Water SCHEMBL23804500 | 0.96 | TAS2R38 (0.44) | — | |
| Water SCHEMBL27313325 | 0.96 | — | — | |
| Water SCHEMBL6889477 | 0.96 | — | — | |
| SCHEMBL37535 | 0.96 | — | — | |
| SCHEMBL434255 | 0.92 | TAS2R38 (0.47) | — | |
| Selenium SCHEMBL80974 | 0.92 | TAS2R38 (0.47) | — | |
| SCHEMBL21753612 | 0.92 | — | — | |
| SCHEMBL15328334 | 0.92 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240173292-A1 | COMPOUNDS THAT SYNERGIZE WITH COPPER TO KILL STREPTOCOCCUS PNEUMONIAE | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2024-05-30 | — | — | US | disclosed |
| US-11957757-B2 | Method for preparing stabilized metal ion ligand nanocomplex and compositions thereof | AUBURN UNIVERSITY (US) | 2024-04-16 | — | — | US | disclosed |
| WO-2022266330-A1 | COMPOUNDS THAT SYNERGIZE WITH COPPER TO KILL STREPTOCOCCUS PNEUMONIAE | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2022-12-22 | — | — | WO | disclosed |
| US-11142539-B2 | Phosphinogold(I) complexes and methods of treating cancer | KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) | 2021-10-12 | — | — | US | disclosed |
| US-20210284674-A1 | PHOSPHINOGOLD(I) COMPLEXES AND METHODS OF TREATING CANCER | KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) | 2021-09-16 | — | — | US | disclosed |
| US-20210275676-A1 | METHOD FOR PREPARING STABILIZED METAL ION LIGAND NANOCOMPLEX AND COMPOSITIONS THEREOF | UNIV AUBURN (US) | 2021-09-09 | — | — | US | disclosed |
| US-11045553-B2 | Method for preparing stabilized metal ion ligand nanocomplex and compositions thereof | AUBURN UNIVERSITY (US) | 2021-06-29 | — | — | US | disclosed |
| EP-3727458-A1 | METHOD FOR PREPARING STABILIZED METAL ION LIGAND NANOCOMPLEX AND COMPOSITIONS THEREOF | Auburn University (US) | 2020-10-28 | — | — | EP | disclosed |
| US-20200230245-A1 | METHOD FOR PREPARING STABILIZED METAL ION LIGAND NANOCOMPLEX AND COMPOSITIONS THEREOF | AUBURN UNIVERSITY | 2020-07-23 | — | — | US | disclosed |
| US-5145840-A | Treatment of virac and bacterial infections; aids | BURROUGHS WELLCOME CO. (US) | 1992-09-08 | — | — | US | disclosed |
| US-5064946-A | 3-azido-2,3-dideoxy-B-D-erythro-pentofuranosyl derivatives of 4(1H)-pyrimidinones; antiretroviral, anti-AIDS | BURROUGHS WELLCOME CO. (US) | 1991-11-12 | — | — | US | disclosed |
| EP-0217580-A2 | Therapeutic nucleosides | THE WELLCOME FOUNDATION LIMITED (GB) | 1987-04-08 | — | — | EP | disclosed |
| EP-0031705-A1 | Substituted 3-isothiazolones, salts and metal salt complexes thereof, compositions containing them and their use for combating bacteria, algae and fungi | ROHM AND HAAS COMPANY (US) | 1981-07-08 | — | — | EP | disclosed |