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 SCHEMBL7601358 | 1.00 | — | — | |
| Water SCHEMBL15334080 | 1.00 | — | — | |
| Water SCHEMBL28161528 | 0.87 | — | — | |
| Water SCHEMBL5674488 | 0.87 | — | — | |
| Water SCHEMBL28115375 | 0.87 | — | — | |
| Water SCHEMBL9768440 | 0.82 | CA4 (0.33) | — | |
| Water SCHEMBL6430204 | 0.82 | — | — | |
| Water SCHEMBL11407392 | 0.82 | CA4 (0.33) | — | |
| Potassium Ion SCHEMBL21956 | 0.82 | — | — | |
| Water SCHEMBL10780686 | 0.82 | — | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240149557-A1 | Ceramic Surface Modification Materials | NELUMBO INC (US) | 2024-05-09 | — | — | US | disclosed |
| US-20230032108-A1 | Ceramic Surface Modification Materials | NELUMBO INC (US) | 2023-02-02 | — | — | US | disclosed |
| CN-108137773-B | High elasticity polyurethane foams prepared from high functionality, high equivalent weight polyols having predominantly secondary hydroxyl groups | 陶氏环球技术有限责任公司 | 2021-10-15 | — | — | CN | disclosed |
| US-11041041-B2 | High resiliency polyurethane foams made with high functionality, high equivalent weight polyols with mainly secondary hydroxyl groups | DOW GLOBAL TECHNOLOGIES LLC (US) | 2021-06-22 | — | — | US | disclosed |
| WO-2021119518-A1 | CERAMIC SURFACE MODIFICATION MATERIALS | NELUMBO INC. (US) | 2021-06-17 | — | — | WO | disclosed |
| US-20200255580-A1 | HIGH RESILIENCY POLYURETHANE FOAMS MADE WITH HIGH FUNCTIONALITY, HIGH EQUIVALENT WEIGHT POLYOLS WITH MAINLY SECONDARY HYDROXYL GROUPS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2020-08-13 | — | — | US | disclosed |
| EP-3359582-B1 | HIGH RESILIENCY POLYURETHANE FOAMS MADE WITH HIGH FUNCTIONALITY, HIGH EQUIVALENT WEIGHT POLYOLS WITH MAINLY SECONDARY HYDROXYL GROUPS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2020-07-29 | — | — | EP | disclosed |
| CN-110462041-A | Mutant 2-deoxy-scyllo-inosose synthases | THE NIIGATA INSTITUTE OF SCIENCE AND TECH | 2019-11-15 | — | — | CN | disclosed |
| CN-106659161-B | Amide compound and its harmful arthropod prevent and kill off purposes | 住友化学株式会社 | 2019-08-02 | — | — | CN | disclosed |
| CN-106716706-B | Use the secondary cell of hydroxide ion conductive ceramic partition | 日本碍子株式会社 | 2019-07-05 | — | — | CN | disclosed |
| US-20140374109-A1 | Enhanced Carbon Dioxide Capture in a Combined Cycle Plant | DENTON ROBERT D (US) | 2014-12-25 | — | — | US | disclosed |
| WO-2014047014-A1 | INCORPORATING ADDITIVES INTO FIXED ABRASIVE WEBS FOR IMPROVED CMP PERFORMANCE | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2014-03-27 | — | — | WO | disclosed |
| WO-2013106712-A1 | COMPOSITES FOR CARBON DIOXIDE CAPTURE | WILLIAM MARSH RICE UNIVERSITY (US) | 2013-07-18 | — | — | WO | disclosed |
| EP-2534112-A1 | HYDRAULIC LIME COMPOSITION | Limeco Limited (GB) | 2012-12-19 | — | — | EP | disclosed |
| US-20120304895-A1 | HYDRAULIC LIME COMPOSITION | LIMECO LIMITED (GB) | 2012-12-06 | — | — | US | disclosed |
| WO-2011098814-A1 | HYDRAULIC LIME COMPOSITION | GIBSON ROBIN (GB) | 2011-08-18 | — | — | WO | disclosed |
| WO-2011056576-A2 | OXYGEN TORCH RECLAMATION OF METALS WITH NITRIC ACID RECOVERY | AKRIDGE JAMES R (US) | 2011-05-12 | — | — | WO | disclosed |
| WO-2011056548-A2 | OXYGEN TORCH WASTE RECLAMATION SYSTEM AND ACID RECOVERY | AKRIDGE JAMES R (US) | 2011-05-12 | — | — | WO | disclosed |
| WO-2009146175-A2 | SUSTAINABLE RECOVERY OF METAL COMPOUNDS | AKRIDGE JAMES R (US) | 2009-12-03 | — | — | WO | disclosed |
| WO-2009129271-A1 | SYSTEM FOR THE SUSTAINABLE RECOVERY OF METALS FROM ELECTRONIC WASTE | AKRIDGE JAMES R (US) | 2009-10-22 | — | — | WO | disclosed |