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 SCHEMBL5553256 | 1.00 | — | — | |
| Water SCHEMBL664639 | 0.94 | — | — | |
| SCHEMBL645392 | 0.94 | — | — | |
| Water SCHEMBL28219458 | 0.89 | — | — | |
| Water SCHEMBL5113156 | 0.89 | — | — | |
| Water SCHEMBL665956 | 0.88 | — | — | |
| Water SCHEMBL226530 | 0.88 | — | — | |
| Water SCHEMBL220756 | 0.88 | — | — | |
| Water SCHEMBL219797 | 0.88 | — | — | |
| Water SCHEMBL664290 | 0.88 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11771716-B2 | Nanoclays for the control of melanoma cell proliferation and cell viability | KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) | 2023-10-03 | — | — | US | disclosed |
| US-11536666-B2 | Matrices for detecting volatile organic compounds | AUBURN UNIVERSITY (US) | 2022-12-27 | — | — | US | disclosed |
| WO-2021096938-A1 | MATRICES FOR DETECTING VOLATILE ORGANIC COMPOUNDS | AUBURN UNIVERSITY (US) | 2021-05-20 | — | — | WO | disclosed |
| US-20210140893-A1 | Matrices for detecting volatile organic compounds | AUBURN UNIVERSITY (US) | 2021-05-13 | — | — | US | disclosed |
| US-20200390804-A1 | NANOCLAYS FOR THE CONTROL OF MELANOMA CELL PROLIFERATION AND CELL VIABILITY | KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) | 2020-12-17 | — | — | US | disclosed |
| US-9242021-B2 | Adhesive composition | CORIUM INTERNATIONAL, INC. (US) | 2016-01-26 | — | — | US | disclosed |
| US-8956664-B2 | Methods and compositions for treating mucositis | Salient Pharmaceuticals Incorporated (US) | 2015-02-17 | — | — | US | disclosed |
| EP-1791575-B1 | ADHESIVE COMPOSITION | CORIUM INT INC (US) | 2014-10-08 | — | — | EP | disclosed |
| WO-2013059827-A1 | METHODS AND COMPOSITIONS FOR TREATING MUCOSITIS | SALIENT PHARMACEUTICALS, INC. (US) | 2013-04-25 | — | — | WO | disclosed |
| US-20130101643-A1 | METHODS AND COMPOSITIONS FOR MITIGATING PROCTITIS | Salient Pharmaceuticals Incorporated (US) | 2013-04-25 | — | — | US | disclosed |
| EP-1513561-B1 | SKIN ADHESIVE FOR CUSHIONS AND WOUND DRESSINGS | CORIUM INT (US) | 2007-09-19 | — | — | EP | disclosed |
| EP-1791575-A2 | ADHESIVE COMPOSITION | Corium International Inc., (US) | 2007-06-06 | — | — | EP | disclosed |
| US-7217853-B2 | Composition for cushions, wound dressings and other skin-contacting products | CORIUM INTERNATIONAL, INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-20060034905-A1 | Adhesive composition | CORIUM PHARMA SOLUTIONS, INC. | 2006-02-16 | — | — | US | disclosed |
| WO-2006017807-A2 | ADHESIVE COMPOSITION | CORIUM INTERNATIONAL, INC. (US) | 2006-02-16 | — | — | WO | disclosed |
| US-20050252141-A1 | Roofing shingles provided with release coating | BUILDING MATERIALS INVESTMENT CORPORATION | 2005-11-17 | — | — | US | disclosed |
| WO-2005103406-A2 | ROOFING SHINGLES PROVIDED WITH RELEASE COATING | BUILDING MATERIALS INVESTMENT CORPORATION (US) | 2005-11-03 | — | — | WO | disclosed |
| EP-1513561-A2 | SKIN ADHESIVE FOR CUSHIONS AND WOUND DRESSINGS | Corium International (US) | 2005-03-16 | — | — | EP | disclosed |
| WO-2003099344-A2 | SKIN ADHESIVE FOR CUSHIONS AND WOUND DRESSINGS | CORIUM INTERNATIONAL (US) | 2003-12-04 | — | — | WO | disclosed |
| US-20030225356-A1 | Composition for cushions, wound dressings and other skin-contacting products | COLUMBUS INVESTMENT HOLDINGS SA (CH) | 2003-12-04 | — | — | US | disclosed |