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 SCHEMBL8016864 | 0.82 | — | — | |
| Water SCHEMBL4745291 | 0.82 | — | — | |
| SCHEMBL891073 | 0.82 | — | — | |
| Water SCHEMBL5202167 | 0.82 | — | — | |
| Water SCHEMBL10723406 | 0.82 | — | — | |
| Water SCHEMBL35959 | 0.82 | — | — | |
| Water SCHEMBL2945815 | 0.82 | — | — | |
| Water SCHEMBL6390838 | 0.82 | — | — | |
| Water SCHEMBL11143608 | 0.82 | — | — | |
| Water SCHEMBL9407235 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993012879-A1 | DEHYDROGENATION CATALYSTS AND PROCESS FOR USING SAME | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1993-07-08 | — | — | WO | disclosed |
| US-5219816-A | Gallium and platinum incorporated into magnesium aluminate spinel | EXXON RESEARCH & ENGINEERING COMPANY (US) | 1993-06-15 | — | — | US | disclosed |
| US-5214227-A | Low pressure dehydrogenation of light paraffins | EXXON RESEARCH & ENGINEERING COMPANY (US) | 1993-05-25 | — | — | US | disclosed |
| EP-0512766-A1 | A process for low pressure semi-regenerative reforming of naphtha | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1992-11-11 | — | — | EP | disclosed |
| US-5015614-A | Silicon and alkaline earth metal modifiers | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1991-05-14 | — | — | US | disclosed |
| US-5013704-A | Novel platinum-rhenium-alumina catalysts for reforming | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1991-05-07 | — | — | US | disclosed |
| EP-0407116-A1 | Novel platinum-tin containing reforming catalysts and reforming process | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1991-01-09 | — | — | EP | disclosed |
| EP-0407115-A1 | Novel platinum agglomerated iridium catalysts and reforming process | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1991-01-09 | — | — | EP | disclosed |
| EP-0407117-A1 | Novel platinum reforming catalysts and support materials | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1991-01-09 | — | — | EP | disclosed |
| US-4968408-A | DEHYDROGENATION, AROMATIZATION OF MAPHTHA FEED | EXXON RESEARCH & ENGINEERING COMPANY (US) | 1990-11-06 | — | — | US | disclosed |
| US-4966879-A | WITH ALUMINA SUPPORT MODIFIED BY SILICON, CALCIUM, MAGNESIUM, BARIUM OR STRONTIUM, ALSO CONTAINING HALIDE; SELECTIVITY | EXXON RESEARCH & ENGINEERING COMPANY (US) | 1990-10-30 | — | — | US | disclosed |
| US-4966878-A | CRYSTALLINE, CONTAINING HALIDE AND ALUMINA MODIFIED WITH SILICA AND CALCIUM, MAGNESIUM, STRONTIUM, OR BARIUM | EXXON RESEARCH & ENGINEERING COMPANY (US) | 1990-10-30 | — | — | US | disclosed |
| US-4966881-A | Support containing halogen modified with silicon, calcium, magnesium, barium or strontium | EXXON RESEARCH & ENGINEERING COMPANY (US) | 1990-10-30 | — | — | US | disclosed |
| US-4966682-A | HYDROREFINING OF NAPHTHA FEED; PLATINUM, IRIDIUM OR RHENIUM ON SUPPORT MODIFIED WITH SILICON AND ONE OR MORE ALKALINE EARTH METALS | EXXON RESEARCH & ENGINEERING COMPANY (US) | 1990-10-30 | — | — | US | disclosed |
| US-4966880-A | Novel platinum-tin-alumina reforming catalysts | EXXON RESEARCH & ENGINEERING COMPANY (US) | 1990-10-30 | — | — | US | disclosed |
| US-4963249-A | USING ALUMINA MODIFIED WITH SILICON AND AN ALKALINE EARTH METAL | EXXON RESEARCH & ENGINEERING COMPANY (US) | 1990-10-16 | — | — | US | disclosed |
| US-4207322-A | 6-Aryl-s-triazolo-(4,3-alpha)-pyrido-(2,3-f)-(1,4)-diazepines | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1980-06-10 | — | — | US | disclosed |
| US-4110455-A | 6-ARYL-S-TRIAZOLO-(4,3-A)-PYRIDO-(2,3-F)-1,4-DIAZEPINES | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1978-08-29 | — | — | US | disclosed |