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 | |
|---|---|---|---|---|
| SCHEMBL17775923 | 0.98 | — | — | |
| SCHEMBL1010881 | 0.85 | — | — | |
| Guanidine SCHEMBL981791 | 0.81 | — | — | |
| Guanidine SCHEMBL981793 | 0.81 | — | — | |
| SCHEMBL15233571 | 0.76 | — | — | |
| Water SCHEMBL29740153 | 0.72 | PABPC1 (0.34) | — | |
| SCHEMBL12333924 | 0.72 | — | — | |
| SCHEMBL1172811 | 0.72 | — | — | |
| SCHEMBL8573556 | 0.70 | — | — | |
| Water SCHEMBL1303685 | 0.70 | — | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10309212-B2 | Energetic cocrystals for treatment of a subterranean formation | HALLIBURTON ENERGY SERVICES, INC. (US) | 2019-06-04 | — | — | US | claimed |
| US-20160177698-A1 | ENERGETIC COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION | HALLIBURTON ENERGY SERVICES, INC. | 2016-06-23 | — | — | US | claimed |
| WO-2015030730-A1 | ENERGETIC COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION | HALLIBURTON ENERGY SERVICES, INC. (US) | 2015-03-05 | — | — | WO | claimed |
| US-11040923-B2 | Explosive composition for use in telescopically expanding non-lethal training ammunition | UTM Ltd. (GB) | 2021-06-22 | — | — | US | disclosed |
| EP-2945919-B1 | EXPLOSIVE COMPOSITION FOR USE IN TELESCOPICALLY EXPANDING NON-LETHAL TRAINING AMMUNITION | UTM LTD (GB) | 2021-03-31 | — | — | EP | disclosed |
| US-10309212-B2 | Energetic cocrystals for treatment of a subterranean formation | HALLIBURTON ENERGY SERVICES, INC. (US) | 2019-06-04 | — | — | US | disclosed |
| US-20190135712-A1 | EXPLOSIVE COMPOSITION FOR USE IN TELESCOPICALLY EXPANDING NON-LETHAL TRAINING AMMUNITION | UTM IP LIMITED (GB) | 2019-05-09 | — | — | US | disclosed |
| US-9409830-B1 | Non-toxic primer mix | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2016-08-09 | — | — | US | disclosed |
| US-20160177698-A1 | ENERGETIC COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION | HALLIBURTON ENERGY SERVICES, INC. | 2016-06-23 | — | — | US | disclosed |
| US-20160145166-A1 | EXPLOSIVE COMPOSITION FOR USE IN TELESCOPICALLY EXPANDING NON-LETHAL TRAINING AMMUNITION | UTM IP LIMITED (GB) | 2016-05-26 | — | — | US | disclosed |
| EP-2945919-A1 | EXPLOSIVE COMPOSITION FOR USE IN TELESCOPICALLY EXPANDING NON-LETHAL TRAINING AMMUNITION | UTM IP Limited (GB) | 2015-11-25 | — | — | EP | disclosed |
| US-20130317232-A1 | ALTERNATIVE TO TETRAZENE | PACIFIC SCIENTIFIC ENERGETIC MATERIALS COMPANY (US) | 2013-11-28 | — | — | US | disclosed |
| US-8524019-B2 | Alternative to tetrazene | PACIFIC SCIENTIFIC ENERGETIC MATERIALS COMPANY (US) | 2013-09-03 | — | — | US | disclosed |
| EP-2560933-A2 | ALTERNATIVE TO TETRAZENE | Pacific Scientific Energetic Materials Company (US) | 2013-02-27 | — | — | EP | disclosed |
| US-8216401-B1 | Lead-free primers | PACIFIC SCIENTIFIC ENERGETIC MATERIALS COMPANY (US) | 2012-07-10 | — | — | US | disclosed |
| US-20120152140-A1 | LEAD-FREE PRIMERS | PACIFIC SCIENTIFIC ENERGETIC MATERIALS COMPANY | 2012-06-21 | — | — | US | disclosed |
| US-20120145290-A1 | ALTERNATIVE TO TETRAZENE | PACIFIC SCIENTIFIC ENERGETIC MATERIALS COMPANY | 2012-06-14 | — | — | US | disclosed |
| WO-2012003031-A2 | ALTERNATIVE TO TETRAZENE | PACIFIC SCIENTIFIC ENERGETIC MATERIALS COMPANY (US) | 2012-01-05 | — | — | WO | disclosed |
| WO-2009114347-A1 | LEAD-FREE PRIMERS | PACIFIC SCIENTIFIC ENERGETIC MATERIALS COMPANY (US) | 2009-09-17 | — | — | WO | disclosed |
| US-20090223401-A1 | LEAD-FREE PRIMERS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY | 2009-09-10 | — | — | US | disclosed |