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 SCHEMBL11566091 | 1.00 | — | — | |
| Water SCHEMBL9405278 | 1.00 | — | — | |
| Water SCHEMBL19953492 | 1.00 | — | — | |
| Water SCHEMBL57587 | 1.00 | — | — | |
| Water SCHEMBL20566053 | 1.00 | — | — | |
| Water SCHEMBL49579 | 1.00 | — | — | |
| Water SCHEMBL3841401 | 1.00 | — | — | |
| Water SCHEMBL1941845 | 1.00 | OXTR (0.50) | — | |
| Water SCHEMBL1282691 | 1.00 | — | — | |
| Water SCHEMBL28721160 | 1.00 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025087405-A1 | HIGH-YIELD INTEGRATED PRODUCTION METHOD FOR CIGAR WRAPPERS | 湖北省烟草科学研究院 | 2025-05-01 | — | — | WO | disclosed |
| CN-116832824-A | Preparation method of supported bimetal nanocomposite MWCNTs-Pd/Fe | 浙江工业大学 | 2023-10-03 | — | — | CN | disclosed |
| CN-115135706-A | Method and system for lactic acid production and polylactic acid recycling | 三W有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-112110496-B | Preparation method of polymeric ferric sulfate | 安徽工业大学 | 2022-07-26 | — | — | CN | disclosed |
| CN-114249458-A | Method for treating high-concentration polyvinyl alcohol wastewater by using coal water slurry in synergistic manner and coal water slurry | 福建清源科技有限公司 | 2022-03-29 | — | — | CN | disclosed |
| CN-114256364-A | Application of self-PN junction semiconductor nano material as infrared photoelectric detector | 中国科学院宁波材料技术与工程研究所 | 2022-03-29 | — | — | CN | disclosed |
| WO-2012065844-A1 | PROCESS FOR PRODUCING A MODIFIED GRADE OF IRON SULPHATE HEPTAHYDRATE | TIOXIDE EUROPE S.L. (ES) | 2012-05-24 | — | — | WO | disclosed |
| US-20060089270-A1 | Compositions and methods relating to tribology | INTEGRATED MICROMETALLURGICAL SYSTEMS, INC. | 2006-04-27 | — | — | US | disclosed |
| WO-2006042317-A2 | COMPOSITIONS AND METHODS RELATING TO TRIBOLOGY | INTEGRATED MICROMETALLURGICAL SYSTEMS, INC. (US) | 2006-04-20 | — | — | WO | disclosed |