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 SCHEMBL2940016 | 1.00 | — | — | |
| SCHEMBL35132 | 0.82 | — | — | |
| SCHEMBL2413698 | 0.82 | — | — | |
| SCHEMBL345443 | 0.82 | — | — | |
| SCHEMBL23721757 | 0.67 | — | — | |
| Water SCHEMBL11364888 | 0.67 | — | — | |
| SCHEMBL11567946 | 0.67 | — | — | |
| Water SCHEMBL49418 | 0.67 | — | — | |
| Water SCHEMBL7764322 | 0.67 | — | — | |
| Water SCHEMBL6690795 | 0.67 | — | — |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107098403-B | NiCo2S4Nano material and preparation method thereof | 广东工业大学 | 2019-03-12 | — | — | CN | disclosed |
| CN-107098403-A | NiCo2S4Nano material and preparation method thereof | 广东工业大学 | 2017-08-29 | — | — | CN | disclosed |
| US-9732284-B2 | Process for determining presence of mesophase in slurry hydrocracking | UOP LLC (US) | 2017-08-15 | — | — | US | disclosed |
| US-8926737-B2 | Process for producing purified natural gas | SHELL OIL COMPANY (US) | 2015-01-06 | — | — | US | disclosed |
| US-8709966-B2 | Catalyst composition with nanometer crystallites for slurry hydrocracking | UOP LLC (US) | 2014-04-29 | — | — | US | disclosed |
| US-8574539-B2 | Process for selective oxidation of hydrogen sulphide | SHELL OIL COMPANY (US) | 2013-11-05 | — | — | US | disclosed |
| US-8524189-B2 | Process for the selective oxidation of hydrogen sulphide | SHELL OIL COMPANY (US) | 2013-09-03 | — | — | US | disclosed |
| US-20130183217-A1 | PROCESS FOR SELECTIVE OXIDATION OF HYDROGEN SULPHIDE | SHELL OIL COMPANY | 2013-07-18 | — | — | US | disclosed |
| EP-2536660-A2 | PROCESS FOR SELECTIVE OXIDATION OF HYDROGEN SULPHIDE | Shell Internationale Research Maatschappij B.V. (NL) | 2012-12-26 | — | — | EP | disclosed |
| US-8277638-B2 | Process for using catalyst with rapid formation of iron sulfide in slurry hydrocracking | UOP LLC (US) | 2012-10-02 | — | — | US | disclosed |
| US-20090321313-A1 | Process for Determining Presence of Mesophase in Slurry Hydrocracking | LG DISPLAY CO., LTD. (KR) | 2009-12-31 | — | — | US | disclosed |
| US-20090321316-A1 | Process for Using Catalyst with Rapid Formation of Iron Sulfide in Slurry Hydrocracking | UOP LLC | 2009-12-31 | — | — | US | disclosed |
| US-20090326302-A1 | Process for Using Alumina Catalyst in Slurry Hydrocracking | THE UNIVERSITY OF ELECTRO-COMMUNICATIONS (JP) | 2009-12-31 | — | — | US | disclosed |
| US-20090326304-A1 | Process for Using Catalyst with Nanometer Crystallites in Slurry Hydrocracking | UOP LLC | 2009-12-31 | — | — | US | disclosed |
| US-20090326303-A1 | Process for Using Iron Oxide and Alumina Catalyst for Slurry Hydrocracking | UOP LLC | 2009-12-31 | — | — | US | disclosed |
| US-20090325789-A1 | Catalyst Composition with Nanometer Crystallites for Slurry Hydrocracking | UOP LLC | 2009-12-31 | — | — | US | disclosed |
| US-7291320-B2 | Process for the selective oxidation of hydrogen sulfhide | SHELL OIL COMPANY (US) | 2007-11-06 | — | — | US | disclosed |
| EP-1667933-A1 | PROCESS FOR THE SELECTIVE OXIDATION OF HYDROGEN SULFHIDE | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2006-06-14 | — | — | EP | disclosed |
| US-20050100504-A1 | Process for the selective oxidation of hydrogen sulfhide | SHELL OIL COMPANY | 2005-05-12 | — | — | US | disclosed |
| WO-2005030638-A1 | PROCESS FOR THE SELECTIVE OXIDATION OF HYDROGEN SULFHIDE | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2005-04-07 | — | — | WO | disclosed |