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 SCHEMBL28438200 | 1.00 | — | — | |
| Water SCHEMBL252223 | 0.94 | — | — | |
| Water SCHEMBL3379708 | 0.93 | CA1 (0.30) | — | |
| Water SCHEMBL8458832 | 0.93 | CA1 (0.30) | — | |
| Water SCHEMBL6766136 | 0.93 | CA1 (0.30) | — | |
| Water SCHEMBL3816182 | 0.93 | CA1 (0.30) | — | |
| Water SCHEMBL277580 | 0.93 | CA1 (0.30) | — | |
| Water SCHEMBL11339125 | 0.93 | — | — | |
| Water SCHEMBL21752983 | 0.93 | — | — | |
| Water SCHEMBL4979687 | 0.93 | — | — |
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-11634641-B2 | Aerogel compositions for high temperature applications | ASPEN AEROGELS, INC. (US) | 2023-04-25 | — | — | US | disclosed |
| US-11549059-B2 | Aerogel compositions with enhanced performance | MIDCAP FUNDING IV TRUST | 2023-01-10 | — | — | US | disclosed |
| US-11261380-B2 | Aerogel compositions for high temperature applications | MIDCAP FUNDING IV TRUST | 2022-03-01 | — | — | US | disclosed |
| US-20210207032-A1 | AEROGEL COMPOSITIONS FOR HIGH TEMPERATURE APPLICATIONS | ASPEN AEROGELS, INC. (US) | 2021-07-08 | — | — | US | disclosed |
| US-20210198578-A1 | AEROGEL COMPOSITIONS FOR HIGH TEMPERATURE APPLICATIONS | ASPEN AEROGELS, INC. (US) | 2021-07-01 | — | — | US | disclosed |
| US-20210079300-A1 | AEROGEL COMPOSITIONS WITH ENHANCED PERFORMANCE | ASPEN AEROGELS, INC. (US) | 2021-03-18 | — | — | US | disclosed |
| US-20200061569-A1 | AEROGEL COMPOSITIONS FOR HIGH TEMPERATURE APPLICATIONS | ASPEN AEROGELS, INC. (US) | 2020-02-27 | — | — | US | disclosed |
| US-9750675-B2 | Use of green light to activate L-amino acid oxidase | L'OREAL (FR) | 2017-09-05 | — | — | US | disclosed |
| US-20160046867-A1 | AEROGEL COMPOSITIONS WITH ENHANCED PERFORMANCE | MIDCAP FUNDING IV TRUST | 2016-02-18 | — | — | US | disclosed |
| US-9181486-B2 | Aerogel compositions with enhanced performance | ASPEN AEROGELS, INC. (US) | 2015-11-10 | — | — | US | disclosed |
| US-20100183868-A1 | Micronized wood preservative formulations comprising boron compounds | OSMOSE UTILITIES SERVICES, INC. | 2010-07-22 | — | — | US | disclosed |
| US-20100003431-A1 | COMPOSITE MATERIALS | RAYBUCK JOHN | 2010-01-07 | — | — | US | disclosed |
| WO-2007140293-A2 | AEROGEL COMPOSITIONS WITH ENHANCED PERFORMANCE | ASPEN AEROGELS, INC. (US) | 2007-12-06 | — | — | WO | disclosed |
| US-7304027-B1 | Phase-stable concentrated fabric softeners containing borates | THE DIAL CORPORATION (US) | 2007-12-04 | — | — | US | disclosed |
| US-20070272902-A1 | AEROGEL COMPOSITIONS WITH ENHANCED PERFORMANCE | ASPEN AEROGELS, INC. (US) | 2007-11-29 | — | — | US | disclosed |
| US-7297317-B2 | Process for producing boron nitride | MOMENTIVE PERFORMANCE MATERIALS INC. (US) | 2007-11-20 | — | — | US | disclosed |
| WO-2007095610-A2 | MICRONIZED WOOD PRESERVATIVE FORMULATIONS COMPRISING BORON COMPOUNDS | OSMOSE, INC. (US) | 2007-08-23 | — | — | WO | disclosed |
| US-20060257578-A1 | Micronized wood preservative formulations comprising boron compounds | OSMOSE, INC. | 2006-11-16 | — | — | US | disclosed |
| US-20060140839-A1 | Process for producing boron nitride | GENERAL ELECTRIC COMPANY | 2006-06-29 | — | — | US | disclosed |
| US-5238119-A | Beneficiation of calcium borate minerals | U.S. BORAX INC. (US) | 1993-08-24 | — | — | US | disclosed |