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 | |
|---|---|---|---|---|
| SCHEMBL4245159 | 0.96 | — | — | |
| SCHEMBL27428604 | 0.78 | — | — | |
| SCHEMBL284681 | 0.76 | — | — | |
| SCHEMBL15599702 | 0.76 | — | — | |
| SCHEMBL16672175 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28112622 | 0.72 | KDM4E (0.53) | — | |
| Hydrochloric Acid SCHEMBL10804922 | 0.72 | KDM4E (0.53) | — | |
| SCHEMBL9066384 | 0.71 | CA12 (0.48) | — | |
| SCHEMBL5667451 | 0.71 | CA12 (0.48) | — | |
| SCHEMBL5701081 | 0.71 | CA12 (0.48) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111278648-B | Coated metal plate and method for producing coated metal plate | 日本制铁株式会社 | 2021-11-05 | — | — | CN | disclosed |
| CN-108393501-B | Preparation method of Cu nanowire with controllable diameter | 哈尔滨理工大学 | 2020-11-06 | — | — | CN | disclosed |
| CN-111278648-A | Coated metal plate and method for producing coated metal plate | 日本制铁株式会社 | 2020-06-12 | — | — | CN | disclosed |
| CN-108393501-A | A kind of preparation method of controlled diameter Cu nano wires | 哈尔滨理工大学 | 2018-08-14 | — | — | CN | disclosed |
| US-8956729-B2 | Surface-treated metal material and process for producing the same | NIPPON STEEL & SUMITOMO METAL CORPORATION (JP) | 2015-02-17 | — | — | US | disclosed |
| EP-2431171-A1 | SURFACE-TREATED METAL MATERIAL AND MANUFACTURING METHOD THEREFOR | Nippon Steel Corporation (JP) | 2012-03-21 | — | — | EP | disclosed |
| US-20120064354-A1 | SURFACE-TREATED METAL MATERIAL AND PROCESS FOR PRODUCING THE SAME | NIPPON STEEL CORPORATION (JP) | 2012-03-15 | — | — | US | disclosed |
| US-RE34887-E | Ceramic multilayer circuit board and semiconductor module | HITACHI, LTD. (JP) | 1995-03-28 | — | — | US | disclosed |
| CN-1005241-B | CERAMIC MULTILAYER CIRCUIT BOARD AND SEMICONDUCTOR MODULE | 株式会社日立制作所 | 1989-09-20 | — | — | CN | disclosed |
| US-4821142-A | SPECIFIC THERMAL EXPANSION COEFFICIENT AND SOFTENING POINT | HITACHI, LTD. (JP) | 1989-04-11 | — | — | US | disclosed |
| CN-87104031-A | Ceramic multilayer circuit board and semiconductor subassembly | — | 1987-12-16 | — | — | CN | disclosed |