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 SCHEMBL5067837 | 1.00 | — | — | |
| Water SCHEMBL29618032 | 0.82 | — | — | |
| Bromide SCHEMBL118148 | 0.82 | — | — | |
| Bromide SCHEMBL96655 | 0.82 | — | — | |
| Water SCHEMBL23533346 | 0.67 | — | — | |
| Water SCHEMBL1161000 | 0.67 | — | — | |
| Water SCHEMBL11727068 | 0.67 | — | — | |
| Water SCHEMBL3699635 | 0.67 | — | — | |
| Water SCHEMBL49418 | 0.67 | — | — | |
| Bromide SCHEMBL9725166 | 0.67 | — | — |
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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113173751-B | Phase-change gypsum and preparation method thereof | 中国科学院青海盐湖研究所 | 2023-05-26 | — | — | CN | claimed |
| CN-113372272-B | Method for preparing caprolactam | 青岛科技大学 | 2023-03-31 | — | — | CN | claimed |
| CN-112940339-B | Preparation and use method of flame-retardant photothermal conversion polymer foam | 四川大学 | 2023-01-31 | — | — | CN | claimed |
| CN-113173740-B | Phase-change thermal insulation mortar and preparation method thereof | 中国科学院青海盐湖研究所 | 2022-12-13 | — | — | CN | claimed |
| CN-113173739-B | Phase change concrete and preparation method thereof | 中国科学院青海盐湖研究所 | 2022-12-06 | — | — | CN | claimed |
| CN-110467569-B | Preparation method and application of substituted quinoline-2 (1H) -ketone compound | 上海特化医药科技有限公司 | 2022-10-21 | — | — | CN | claimed |
| CN-115057806-A | Method for preparing caprolactam | 青岛科技大学 | 2022-09-16 | — | — | CN | claimed |
| CN-113174157-B | Wall surface phase change putty and preparation method thereof | 中国科学院青海盐湖研究所 | 2022-04-22 | — | — | CN | claimed |
| CN-113461614-A | Preparation method of caprolactam | 青岛科技大学 | 2021-10-01 | — | — | CN | claimed |
| CN-113372272-A | Method for preparing caprolactam | 青岛科技大学 | 2021-09-10 | — | — | CN | claimed |
| CN-113173740-A | Phase-change thermal insulation mortar and preparation method thereof | 中国科学院青海盐湖研究所 | 2021-07-27 | — | — | CN | claimed |
| CN-113173751-A | Phase-change gypsum and preparation method thereof | 中国科学院青海盐湖研究所 | 2021-07-27 | — | — | CN | claimed |
| CN-113174157-A | Wall surface phase change putty and preparation method thereof | 中国科学院青海盐湖研究所 | 2021-07-27 | — | — | CN | claimed |
| CN-113173739-A | Phase change concrete and preparation method thereof | 中国科学院青海盐湖研究所 | 2021-07-27 | — | — | CN | claimed |
| CN-112940339-A | Preparation and use method of flame-retardant photothermal conversion polymer foam | 四川大学 | 2021-06-11 | — | — | CN | claimed |
| CN-111019004-A | Method for preparing cellulose nanocrystals by hydrolyzing acidic eutectic solvent under catalysis of metal salt | 天津科技大学 | 2020-04-17 | — | — | CN | claimed |
| WO-2008097348-A1 | PROCESS FOR SEPARATION OF BROMINE FROM GASEOUS HYDROGEN BROMIDE AND USE OF SUCH PROCESS IN PRODUCTION OF DECABROMODIPHENYLETHANE | ALBEMARLE CORPORATION (US) | 2008-08-14 | — | — | WO | claimed |
| US-20080194889-A1 | PROCESS FOR SEPARATION OF BROMINE FROM GASEOUS HYDROGEN BROMIDE AND USE OF SUCH PROCESS IN PRODUCTION OF DECABROMODIPHENYLETHANE | ALBEMARLE CORPORATION (US) | 2008-08-14 | — | — | US | claimed |
| US-7408088-B1 | Process for separation of bromine from gaseous hydrogen bromide and use of such process in production of decabromodiphenylethane | ALBEMARLE CORPORATION (US) | 2008-08-05 | — | — | US | claimed |
| US-4280980-A | Process and apparatus for handling and/or storing gallium in the metallic state | RHONE-POULENC INDUSTRIES (FR) | 1981-07-28 | — | — | US | claimed |