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 SCHEMBL224935 | 0.95 | — | — | |
| Water SCHEMBL1743482 | 0.95 | — | — | |
| Water SCHEMBL5191861 | 0.95 | — | — | |
| Water SCHEMBL2380464 | 0.95 | — | — | |
| Water SCHEMBL221948 | 0.91 | — | — | |
| Water SCHEMBL222695 | 0.91 | — | — | |
| Water SCHEMBL226049 | 0.90 | — | — | |
| Water SCHEMBL226529 | 0.90 | — | — | |
| Water SCHEMBL5089772 | 0.90 | — | — | |
| Water SCHEMBL223198 | 0.90 | — | — |
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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3248953-A1 | CEMENT COMPOSITION | Halliburton Energy Services, Inc. (US) | 2017-11-29 | — | — | EP | claimed |
| EP-2314555-A1 | Zeolite-containing cement compostion | Halliburton Energy Services, Inc. (US) | 2011-04-27 | — | — | EP | claimed |
| WO-2006047812-A1 | WATER TREATMENT | HURSTWELL PTY LIMITED (AU) | 2006-05-11 | — | — | WO | claimed |
| US-6989057-B2 | Zeolite-containing cement composition | HALLIBURTON ENERGY SERVICES, INC. (US) | 2006-01-24 | — | — | US | claimed |
| EP-1428805-A1 | Cement composition | Halliburton Energy Services, Inc. (US) | 2004-06-16 | — | — | EP | claimed |
| US-20040107877-A1 | Zeolite-containing cement composition | HALLIBURTON ENERGY SERVICES, INC. (US) | 2004-06-10 | — | — | US | claimed |
| 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-11040307-B2 | Method for removing contaminant from a fluid stream | PURAFIL, INC. (US) | 2021-06-22 | — | — | US | disclosed |
| US-20210079300-A1 | AEROGEL COMPOSITIONS WITH ENHANCED PERFORMANCE | ASPEN AEROGELS, INC. (US) | 2021-03-18 | — | — | US | disclosed |
| EP-1569734-A1 | HIGH CAPACITY SOLID FILTRATION MEDIA | PURAFIL, INC. (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2005063660-A2 | METHOD FOR THE PURIFICATION OF PHARMACEUTICAL GRADE HFC-134A AND POLYMER GRADE HCFC-22 | HONEYWELL INTERNATIONAL INC. (US) | 2005-07-14 | — | — | WO | disclosed |
| US-20050133360-A1 | Process for the purification of pharmaceutical grade HFC-134a and polymer grade HCFC-22 | HONEYWELL INTERNATIONAL INC. | 2005-06-23 | — | — | US | disclosed |
| EP-1428805-A1 | Cement composition | Halliburton Energy Services, Inc. (US) | 2004-06-16 | — | — | EP | disclosed |
| US-20040107877-A1 | Zeolite-containing cement composition | HALLIBURTON ENERGY SERVICES, INC. (US) | 2004-06-10 | — | — | US | disclosed |
| WO-2004047950-A1 | HIGH CAPACITY SOLID FILTRATION MEDIA | PURAFIL, INC. (US) | 2004-06-10 | — | — | WO | disclosed |
| WO-2002099824-A2 | NANOTUBE DEPOSITION ON ADSORBENTS IN WATER MAKER HEAT PUMP | ZORNES DAVID A (US) | 2002-12-12 | — | — | WO | disclosed |