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 SCHEMBL28936266 | 1.00 | — | — | |
| SCHEMBL108163 | 0.91 | — | — | |
| Water SCHEMBL123474 | 0.83 | CA1 (0.30) | — | |
| Water SCHEMBL2322484 | 0.83 | — | — | |
| Water SCHEMBL11143526 | 0.83 | — | — | |
| Water SCHEMBL25317838 | 0.83 | — | — | |
| Water SCHEMBL7264010 | 0.83 | — | — | |
| Water SCHEMBL7133881 | 0.83 | — | — | |
| Water SCHEMBL16224274 | 0.83 | — | — | |
| Water SCHEMBL25316651 | 0.83 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6933339-B2 | Nitrile rubber composition, vulcanizable nitrile rubber composition, and vulcanizate | ZEON CORPORATION (JP) | 2005-08-23 | — | — | US | claimed |
| US-20030166789-A1 | Nitrile rubber composition, vulcanizable nitrile rubber composition, and vulcanizate | ZEON CORPORATION (JP) | 2003-09-04 | — | — | US | claimed |
| EP-1277796-A1 | NITRILE RUBBER COMPOSITION, VULCANIZABLE NITRILE RUBBER COMPOSITION, AND VULCANIZATE | Zeon Corporation (JP) | 2003-01-22 | — | — | EP | claimed |
| WO-2025028232-A1 | CROSSLINKABLE RUBBER COMPOSITION, CROSSLINKED RUBBER OBJECT, AND SEALING MATERIAL | 日本ゼオン株式会社 | 2025-02-06 | — | — | WO | disclosed |
| EP-3816221-B1 | CROSSLINKABLE NITRILE RUBBER COMPOSITION AND CROSSLINKED RUBBER MATERIAL | ZEON CORP (JP) | 2023-02-15 | — | — | EP | disclosed |
| US-11414499-B2 | Crosslinkable nitrile rubber composition and crosslinked rubber material | ZEON CORPORATION (JP) | 2022-08-16 | — | — | US | disclosed |
| CN-112313274-B | Crosslinkable nitrile rubber composition and crosslinked rubber | 日本瑞翁株式会社 | 2022-08-12 | — | — | CN | disclosed |
| US-20210171671-A1 | CROSSLINKABLE NITRILE RUBBER COMPOSITION AND CROSSLINKED RUBBER MATERIAL | ZEON CORPORATION (JP) | 2021-06-10 | — | — | US | disclosed |
| EP-3816221-A1 | CROSSLINKABLE NITRILE RUBBER COMPOSITION AND CROSSLINKED RUBBER MATERIAL | Zeon Corporation (JP) | 2021-05-05 | — | — | EP | disclosed |
| CN-108350229-B | Crosslinked rubber | 日本瑞翁株式会社 | 2021-02-23 | — | — | CN | disclosed |
| CN-112313274-A | Crosslinkable nitrile rubber composition and crosslinked rubber | 日本瑞翁株式会社 | 2021-02-02 | — | — | CN | disclosed |
| US-10787525-B2 | Rubber crosslinked material | ZEON CORPORATION (JP) | 2020-09-29 | — | — | US | disclosed |
| EP-3378891-B1 | RUBBER CROSSLINKED MATERIAL | ZEON CORP (JP) | 2020-09-02 | — | — | EP | disclosed |
| US-20180327517-A1 | RUBBER CROSSLINKED MATERIAL | ZEON CORPORATION (JP) | 2018-11-15 | — | — | US | disclosed |
| EP-3378891-A1 | RUBBER CROSSLINKED MATERIAL | Zeon Corporation (JP) | 2018-09-26 | — | — | EP | disclosed |
| US-6933339-B2 | Nitrile rubber composition, vulcanizable nitrile rubber composition, and vulcanizate | ZEON CORPORATION (JP) | 2005-08-23 | — | — | US | disclosed |
| US-20030166789-A1 | Nitrile rubber composition, vulcanizable nitrile rubber composition, and vulcanizate | ZEON CORPORATION (JP) | 2003-09-04 | — | — | US | disclosed |
| EP-1277796-A1 | NITRILE RUBBER COMPOSITION, VULCANIZABLE NITRILE RUBBER COMPOSITION, AND VULCANIZATE | Zeon Corporation (JP) | 2003-01-22 | — | — | EP | disclosed |