Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Hexamethonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 5/20 | 0.92 |
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.92 |
| ▸ | LMNA | P02545 | 3/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.92 |
| ▸ | APEX1 | P27695 | 3/20 | 0.92 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.92 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.92 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.92 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.85 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.85 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.85 |
| ▸ | TSHR | P16473 | 1/20 | 0.85 |
| ▸ | RAB9A | P51151 | 1/20 | 0.85 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.79 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.71 |
| ▸ | APAF1 | O14727 | 1/20 | 0.67 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.67 |
| ▸ | RAD52 | P43351 | 1/20 | 0.67 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hexamethonium SCHEMBL6262913 | 0.96 | MEN1 (1.00) | LMNAMEN1KMT2AAPEX1ACHE | |
| Decamethonium SCHEMBL487473 | 0.96 | MEN1 (1.00) | LMNAMEN1KMT2AAPEX1ACHE | |
| Pentamethonium SCHEMBL61797 | 0.96 | MEN1 (1.00) | LMNAMEN1KMT2AAPEX1ACHE | |
| Hexamethonium SCHEMBL143264 | 0.96 | MEN1 (1.00) | LMNAMEN1KMT2AAPEX1ACHE | |
| Bromide SCHEMBL7198809 | 0.96 | MEN1 (1.00) | LMNAMEN1KMT2AAPEX1ACHE | |
| Bromide SCHEMBL15488587 | 0.96 | MEN1 (1.00) | LMNAMEN1KMT2AAPEX1ACHE | |
| Bromide SCHEMBL21049920 | 0.96 | MEN1 (1.00) | LMNAMEN1KMT2AAPEX1ACHE | |
| Hexamethonium SCHEMBL1338459 | 0.92 | APEX1 (0.92) | LMNAMEN1KMT2AAPEX1ACHE | |
| Hexamethonium SCHEMBL9903433 | 0.92 | LMNA (0.86) | LMNAMEN1KMT2AAPEX1ACHE | |
| Bromide SCHEMBL7200204 | 0.92 | MEN1 (0.92) | LMNAMEN1KMT2AAPEX1ACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-20040244673-A1 | Microporous crystals and methods of making thereof | ROCHESTER, UNIVERSITY OF | 2004-12-09 | — | — | US | claimed |
| WO-2004070784-A2 | MICROPOROUS CRYSTALS AND METHODS OF MAKING THEREOF | UNIVERSITY OF ROCHESTER (US) | 2004-08-19 | — | — | WO | claimed |
| US-7629400-B2 | Image making medium | HYMAN SYDNEY | 2009-12-08 | — | — | US | disclosed |
| US-20040244673-A1 | Microporous crystals and methods of making thereof | ROCHESTER, UNIVERSITY OF | 2004-12-09 | — | — | US | disclosed |
| WO-2004070784-A2 | MICROPOROUS CRYSTALS AND METHODS OF MAKING THEREOF | UNIVERSITY OF ROCHESTER (US) | 2004-08-19 | — | — | WO | disclosed |
| EP-0913435-B1 | Improved ink compositions for thermal ink jet printing | XEROX CORP (US) | 2004-01-07 | — | — | EP | disclosed |
| EP-0913436-B1 | Improved ink compositions for thermal ink jet printing | XEROX CORP (US) | 2003-11-12 | — | — | EP | disclosed |
| US-20030035917-A1 | Image making medium | HYMAN SYDNEY (US) | 2003-02-20 | — | — | US | disclosed |
| EP-0913433-B1 | Improved ink compositions for thermal ink jet printing | XEROX CORP (US) | 2003-01-02 | — | — | EP | disclosed |
| EP-0913437-B1 | Improved ink compositions for thermal ink jet printing | XEROX CORP (US) | 2002-12-11 | — | — | EP | disclosed |
| US-6051129-A | CATALYTIC DEWAXING HIGH BOILING PETROLEUM OIL FEEDSTOCK USING CATALYST MIXTURE OF ZEOLITES EU-1 AND SSZ-32 AND/OR ZSM-48; BY-PRODUCT INHIBITION | CHEVRON U.S.A. INC. (US) | 2000-04-18 | — | — | US | disclosed |
| EP-0913433-A1 | Improved ink compositions for thermal ink jet printing | Xerox Corporation (US) | 1999-05-06 | — | — | EP | disclosed |
| EP-0913435-A1 | Improved ink compositions for thermal ink jet printing | Xerox Corporation (US) | 1999-05-06 | — | — | EP | disclosed |
| EP-0913437-A1 | Improved ink compositions for thermal ink jet printing | Xerox Corporation (US) | 1999-05-06 | — | — | EP | disclosed |
| EP-0913436-A1 | Improved ink compositions for thermal ink jet printing | Xerox Corporation (US) | 1999-05-06 | — | — | EP | disclosed |
| US-5888285-A | MIXTURE OF WATER, BISQUATERNARY AMMONIUM COMPOUND AND FLUORINATED COMPOUND | XEROX CORPORATION (US) | 1999-03-30 | — | — | US | disclosed |
| US-5776230-A | Ink compositions for thermal ink jet printing | XEROX CORPORATION (US) | 1998-07-07 | — | — | US | disclosed |
| US-5766326-A | DIAZABICYCLOOCTANE, FLUORINATED MATERIAL | XEROX CORPORATION (US) | 1998-06-16 | — | — | US | disclosed |