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 | |
|---|---|---|---|---|
| SCHEMBL513426 | 0.97 | — | — | |
| SCHEMBL6046241 | 0.94 | — | — | |
| Bromide SCHEMBL8553231 | 0.94 | — | — | |
| Iodide SCHEMBL6046240 | 0.94 | — | — | |
| Carbon Monoxide SCHEMBL3289966 | 0.89 | — | — | |
| Formaldehyde SCHEMBL27863767 | 0.89 | — | — | |
| SCHEMBL29002347 | 0.83 | — | — | |
| Perchlorate SCHEMBL9692255 | 0.83 | — | — | |
| SCHEMBL1450515 | 0.79 | — | — | |
| SCHEMBL6266286 | 0.78 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101680085-B | New cobalt precursors for semiconductor applications | AIR LIQUIDE | 2012-12-05 | — | — | CN | disclosed |
| CN-101680085-A | New cobalt precursors for semiconductor applications | AIR LIQUIDE | 2010-03-24 | — | — | CN | disclosed |
| US-6419819-B1 | ROASTING; ION EXCHANGING | EXXONMOBIL OIL CORPORATION | 2002-07-16 | — | — | US | disclosed |
| US-6063262-A | TRIVALENT AND TETRAVALENT METAL OXIDES WITH COBALT AND/OR MANGANESE | MOBIL OIL CORPORATION (US) | 2000-05-16 | — | — | US | disclosed |
| EP-0777627-B1 | SYNTHESIS OF NOVEL MOLECULAR SIEVES USING A METAL COMPLEX AS A TEMPLATE | UNIV TEXAS (US) | 2000-05-03 | — | — | EP | disclosed |
| US-5648058-A | CONTAINING BIS(PENTAMETHYLCYCLOPENTADIENYL) COBALT (III) ION | BOARD OF REGENTS, THE UNIV. OF TEXAS SYSTEM (US) | 1997-07-15 | — | — | US | disclosed |
| US-5603914-A | MIXING BIS/PENTAMETHYLCYCLOPENTADIENYL/ COBALT/III/SALT WITH SILICON AND PHOSPHOROUS OXIDES AND ALUMINUM SALT YIELDS COBALT ION COMPLEX TRAPPED IN CRYSTALLINE MOLECULAR SIEVES | BOARD OF REGENTS, THE UNIV. OF TEXAS SYSTEM (US) | 1997-02-18 | — | — | US | disclosed |
| US-5489424-A | PORE DIAMETER GREATER THAN 7.2 ANGSTROMS; CATALYSTS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1996-02-06 | — | — | US | disclosed |