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 | |
|---|---|---|---|---|
| SCHEMBL1652196 | 1.00 | — | — | |
| Water SCHEMBL11049373 | 1.00 | — | — | |
| SCHEMBL235029 | 1.00 | — | — | |
| Water SCHEMBL9293518 | 1.00 | CA1 (0.33) | — | |
| Water SCHEMBL25269402 | 0.93 | CA1 (0.30) | — | |
| SCHEMBL718610 | 0.93 | — | — | |
| SCHEMBL6362960 | 0.93 | — | — | |
| Water SCHEMBL14659987 | 0.93 | — | — | |
| SCHEMBL9222775 | 0.93 | — | — | |
| SCHEMBL3469687 | 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116234626-A | Iron and nitrogen treated adsorbent and method for preparing same | 卡尔冈碳素公司 | 2023-06-06 | — | — | CN | claimed |
| CN-116096478-A | Adsorbent for copper, iron and nitrogen treatment and preparation method thereof | 卡尔冈碳素公司 | 2023-05-09 | — | — | CN | claimed |
| CN-115207427-B | Novel thermoelectric-electrochemical cell based on redox couple and preparation thereof | 华中科技大学 | 2025-04-04 | — | — | CN | disclosed |
| CN-118598930-B | Synthesis method of 17 alpha-hydroxy progesterone | 山东同新药业有限公司 | 2024-11-26 | — | — | CN | disclosed |
| CN-118598930-A | Synthesis method of 17 alpha-hydroxy progesterone | 山东同新药业有限公司 | 2024-09-06 | — | — | CN | disclosed |
| CN-113984863-B | Glycosylated hemoglobin detection method based on aptamer biosensor | 上海市临床检验中心 | 2024-03-15 | — | — | CN | disclosed |
| CN-116234626-A | Iron and nitrogen treated adsorbent and method for preparing same | 卡尔冈碳素公司 | 2023-06-06 | — | — | CN | disclosed |
| CN-116096478-A | Adsorbent for copper, iron and nitrogen treatment and preparation method thereof | 卡尔冈碳素公司 | 2023-05-09 | — | — | CN | disclosed |
| EP-3810275-A1 | 2,3-DIHYDROFURO[2,3-B]PYRIDINE COMPOUNDS | Eli Lilly and Company (US) | 2021-04-28 | — | — | EP | disclosed |
| CN-108410590-A | A kind of cleaning agent and its application in cleaning ceramic filtering plate | 长沙矿冶研究院有限责任公司 | 2018-08-17 | — | — | CN | disclosed |
| WO-2014165998-A1 | TREATMENT OF A WASTE STREAM THROUGH PRODUCTION AND UTILIZATION OF OXYHYDROGEN GAS | XOGEN TECHNOLOGIES INC. (CA) | 2014-10-16 | — | — | WO | disclosed |
| EP-2350017-A1 | AMIDE COMPOUNDS USEFUL IN THERAPY | Pfizer Limited (GB) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010032200-A1 | AMIDE COMPOUNDS USEFUL IN THERAPY | PFIZER LIMITED (GB) | 2010-03-25 | — | — | WO | disclosed |