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 | |
|---|---|---|---|---|
| SCHEMBL190345 | 0.97 | — | — | |
| Bromide SCHEMBL27702312 | 0.94 | — | — | |
| SCHEMBL30661008 | 0.94 | — | — | |
| SCHEMBL28812505 | 0.94 | — | — | |
| Iodide SCHEMBL7099467 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL1268973 | 0.94 | — | — | |
| Iodide SCHEMBL27309520 | 0.92 | — | — | |
| Bromide SCHEMBL27671123 | 0.92 | — | — | |
| Thiocyanic Acid SCHEMBL28436585 | 0.88 | — | — | |
| SCHEMBL28458457 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0888815-B1 | Adsorbent for ethylene, method for adsorbing and removing ethylene and method for purifying an exhaust gas | TOSOH CORP (JP) | 2002-05-02 | — | — | EP | disclosed |
| US-6309616-B1 | ADSORBENT CONSISTING ESSENTIALLY OF A ZEOLITE WHICH CONTAINS AG AND PD AND WHICH HAS A FERRIERITE STRUCTURE WITH A SIO2 /AL2O3 MOLAR RATIO BEING FROM 21 TO 1,000 | TOSOH CORPORATION (JP) | 2001-10-30 | — | — | US | disclosed |
| US-6103208-A | ZEOLITE WHICH CONTAINS AG AND WHICH HAS A FERRIERITE STRUCTURE WITH A SIO2/AL2O3 MOLAR RATIO OF AT LEAST 15. | TOSOH CORPORATION (JP) | 2000-08-15 | — | — | US | disclosed |
| US-6042797-A | ZEOLITE WHICH CONTAINS SILVER AND HAS A FERRIERITE STRUCTURE WITH A SPECIFIC SILICON OXIDE:ALUMINUM OXIDE MOLAR RATIO; DESORBING PEAK TEMPERATURE FOR ETHYLENE OF 320 DEGREES CELCIUS | TOSOH CORPORATION (JP) | 2000-03-28 | — | — | US | disclosed |
| EP-0888815-A2 | Adsorbent for ethylene, method for adsorbing and removing ethylene and method for purifying an exhaust gas | Tosoh Corporation (JP) | 1999-01-07 | — | — | EP | disclosed |
| EP-0106552-B1 | PROCESS FOR PREPARATION OF ZEOLITES | Tosoh Corporation (JP) | 1988-12-07 | — | — | EP | disclosed |
| US-4650654-A | CRYSTALLIZATION OF HOMOGENEOUS AMORPHOUS ALUMINOSILICATE | TOYO SODA MANUFACTURING CO., LTD. (JP) | 1987-03-17 | — | — | US | disclosed |
| US-4562055-A | CRYSTALLIZING AN AMORPHOUS ALUMINUM SILICATE | TOYO SODA MANUFACTURING CO., LTD. (JP) | 1985-12-31 | — | — | US | disclosed |
| EP-0106552-A1 | Process for preparation of zeolites | Tosoh Corporation (JP) | 1984-04-25 | — | — | EP | disclosed |