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.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.93 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.57 |
| ▸ | DNM1 | Q05193 | 9/20 | 0.93 |
| ▸ | TSHR | P16473 | 3/20 | 0.93 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.93 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.93 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.93 |
| ▸ | CA12 | O43570 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | CA3 | P07451 | 2/20 | 0.57 |
| ▸ | CA4 | P22748 | 2/20 | 0.57 |
| ▸ | CA6 | P23280 | 2/20 | 0.57 |
| ▸ | CA5A | P35218 | 2/20 | 0.57 |
| ▸ | CA7 | P43166 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.57 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 SCHEMBL11169370 | 1.00 | DNM1 (0.93) | DNM1TSHRMEN1KMT2AALDH1A1 | |
| Tetradecylamine SCHEMBL238830 | 1.00 | DNM1 (0.93) | DNM1TSHRMEN1KMT2AALDH1A1 | |
| Octadecylamine SCHEMBL5274088 | 1.00 | DNM1 (0.93) | DNM1TSHRMEN1KMT2AALDH1A1 | |
| Water SCHEMBL711285 | 1.00 | — | — | |
| Pentadecylamine SCHEMBL356048 | 1.00 | DNM1 (0.93) | DNM1TSHRMEN1KMT2AALDH1A1 | |
| Octadecylamine SCHEMBL1785756 | 1.00 | DNM1 (0.93) | DNM1TSHRMEN1KMT2AALDH1A1 | |
| Water SCHEMBL9818050 | 1.00 | DNM1 (0.93) | DNM1TSHRMEN1KMT2AALDH1A1 | |
| Dodecylamine SCHEMBL7359051 | 1.00 | DNM1 (0.93) | DNM1TSHRMEN1KMT2AALDH1A1 | |
| Hexadecylamine SCHEMBL2426260 | 1.00 | DNM1 (0.93) | DNM1TSHRMEN1KMT2AALDH1A1 | |
| Octane SCHEMBL29236487 | 1.00 | DNM1 (0.93) | DNM1TSHRMEN1KMT2AALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6428724-B1 | SELECTING PARTICULATES COMPRISING ALPHA-HMX HAVING PARTICLE SIZE DISTRIBUTION, FLUIDIZING PARTICULATES, WHEREBY PARTICULATES AGGLOMERATE TO FORM GRANULES | SCHLUMBERGER TECHNOLOGY CORPORATION | 2002-08-06 | — | — | US | disclosed |
| WO-2000073245-A9 | PROCESS FOR COATING AND IMPREGNATING HMX WITH ADDITIONAL MATERIALS | SCHLUMBERGER TECHNOLOGY CORP (US) | 2002-01-31 | — | — | WO | disclosed |
| US-6265573-B1 | Purification process | SCHLUMBERGER TECHNOLOGY CORPORATION | 2001-07-24 | — | — | US | disclosed |
| US-6214988-B1 | BY PROVIDING A GRANULE COMPRISING ALPHA-HMX (1,3,5,7-TETRANITRO-1,3,5,7-TETRAAZACYCLOOCTANE) PARTICLES AND WHICH HAS INTERNAL VOID SPACES, AND SORBING AT LEAST ONE SECOND MATERIAL INTO THE VOID SPACES; MAKING SHAPED ARTICLE | SCHLUMBERGER TECHNOLOGY CORPORATION | 2001-04-10 | — | — | US | disclosed |
| US-6201117-B1 | REACTING 3,7-DIALKANOYL-1,3,5,7-TETRAAZABICYCLO(3.3.1)NONANE WITH AN ALKANOIC ACID ANHYDRIDE TO FORM A 1,3,5-TRIALKANOYL-7-ALKANOYLOXYMETHYL-1,3,5,7-TETRAAZACYCLOOCTANE AND REACTING THAT WITH THE ANHYDRIDE IN WATER AND METAL OXIDE; EXPLOSIVES | SCHLUMBERGER TECHNOLOGY CORPORATION | 2001-03-13 | — | — | US | disclosed |
| US-6194571-B1 | MIXING 1-(N)-ACETYL-3,5,7-TRINITRO-CYCLOTETRAMETHYLENETETRAMINE) WITH NITRIC ACID, ADDING PHOSPHOROUS PENTOXIDE TO CAUSE SOLID-STATE NITRATION TO PRODUCE OCTOGEN | SCHLUMBERGER TECHNOLOGY CORPORATION | 2001-02-27 | — | — | US | disclosed |
| WO-2000073245-A2 | PROCESS FOR COATING AND IMPREGNATING HMX WITH ADDITIONAL MATERIALS | SCHLUMBERGER TECHNOLOGY CORPORATION (US) | 2000-12-07 | — | — | WO | disclosed |
| WO-2000073286-A1 | HMX COMPOSITIONS AND PROCESSES FOR THEIR PREPARATION | SCHLUMBERGER TECHNOLOGY CORPORATION (US) | 2000-12-07 | — | — | WO | disclosed |
| WO-2000073246-A1 | GRANULATION PROCESS | SCHLUMBERGER TECHNOLOGY CORPORATION (US) | 2000-12-07 | — | — | WO | disclosed |
| WO-2000073285-A1 | PROCESS FOR MAKING AN HMX PRODUCT | SCHLUMBERGER TECHNOLOGY CORPORATION (US) | 2000-12-07 | — | — | WO | disclosed |