Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Brucine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.98 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.70 |
| ▸ | SCN1A known ✓ | P35498 | 1/20 | 0.70 |
| ▸ | SCN2A known ✓ | Q99250 | 1/20 | 0.70 |
| ▸ | SCN3A known ✓ | Q9NY46 | 1/20 | 0.70 |
| ▸ | TAS2R10 | Q9NYW0 | 2/20 | 0.98 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.98 |
| ▸ | GLRA1 | P23415 | 14/20 | 0.72 |
| ▸ | GLRB | P48167 | 14/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.70 |
| ▸ | TAS2R46 | P59540 | 1/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| Brucine SCHEMBL28536349 | 1.00 | TAS2R10 (0.98) | TAS2R10CHRM1SMN1; SMN2GLRA1GLRB | |
| Brucine SCHEMBL7427549 | 1.00 | TAS2R10 (0.98) | TAS2R10CHRM1SMN1; SMN2GLRA1GLRB | |
| Brucine SCHEMBL524833 | 1.00 | TAS2R10 (0.98) | TAS2R10CHRM1SMN1; SMN2GLRA1GLRB | |
| Brucine SCHEMBL6794678 | 1.00 | TAS2R10 (0.98) | TAS2R10CHRM1SMN1; SMN2GLRA1GLRB | |
| Brucine SCHEMBL23468158 | 0.99 | TAS2R10 (1.00) | TAS2R10CHRM1SMN1; SMN2GLRA1GLRB | |
| Brucine SCHEMBL1648976 | 0.99 | TAS2R10 (1.00) | TAS2R10CHRM1SMN1; SMN2GLRA1GLRB | |
| Brucine SCHEMBL113229 | 0.99 | TAS2R10 (1.00) | TAS2R10CHRM1SMN1; SMN2GLRA1GLRB | |
| Brucine SCHEMBL19476145 | 0.99 | TAS2R10 (1.00) | TAS2R10CHRM1SMN1; SMN2GLRA1GLRB | |
| Brucine SCHEMBL10307298 | 0.99 | TAS2R10 (1.00) | TAS2R10CHRM1SMN1; SMN2GLRA1GLRB | |
| Brucine SCHEMBL14029321 | 0.99 | TAS2R10 (1.00) | TAS2R10CHRM1SMN1; SMN2GLRA1GLRB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1434582-B1 | TOPICAL COMPOSITION CONTAINING BRUCINE AND THE USE FOR THE TREATMENT OF DAMAGED MAMMALIAN SKIN | BOYLE FRANK (IE) | 2005-04-13 | — | — | EP | claimed |