Berberine

Berberine

SCHEMBL15936397

COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.O.O

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Berberine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE known ✓ P22303 11/20 0.98
▸ CHRM1 known ✓ P11229 2/20 0.98
▸ DRD2 known ✓ P14416 2/20 0.98
▸ ADRA2B known ✓ P18089 2/20 0.98
▸ ADRA2C known ✓ P18825 2/20 0.98
▸ HTR2B known ✓ P41595 2/20 0.98
▸ SIGMAR1 known ✓ Q99720 2/20 0.98
▸ MEN1 known ✓ O00255 1/20 0.98
▸ PPARD known ✓ Q03181 1/20 0.98
▸ BCHE P06276 9/20 0.98
▸ EP300 Q09472 6/20 0.98
▸ CYP3A4 P08684 4/20 0.98
▸ MAPT P10636 4/20 0.98
▸ RAD52 P43351 4/20 0.98
▸ LMNA P02545 3/20 0.98
▸ CYP2D6 P10635 3/20 0.98
▸ ALDH1A1 P00352 2/20 0.98
▸ TSHR P16473 2/20 0.98
▸ RXRA P19793 2/20 0.98
▸ DRD1 P21728 2/20 0.98

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.

Compoundsimilaritytop predictedshared targets
Berberine SCHEMBL30420905 0.99 ACHE (0.98) ACHEBCHEEP300CYP3A4MAPT
Berberine SCHEMBL1373393 0.99 ACHE (0.98) ACHEBCHEEP300CYP3A4MAPT
Berberine SCHEMBL30833079 0.99 ACHE (0.98) ACHEBCHEEP300CYP3A4MAPT
Berberine SCHEMBL2874125 0.99 ACHE (0.98) ACHEBCHEEP300CYP3A4MAPT
Berberine SCHEMBL29354144 0.99 ACHE (1.00) ACHEBCHEEP300CYP3A4MAPT
Berberine SCHEMBL25632 0.99 ACHE (1.00) ACHEBCHEEP300CYP3A4MAPT
Berberine SCHEMBL30153843 0.99 ACHE (1.00) ACHEBCHEEP300CYP3A4MAPT
Berberine SCHEMBL15669190 0.99 ACHE (1.00) ACHEBCHEEP300CYP3A4MAPT
Berberine SCHEMBL220544 0.98 ACHE (0.98) ACHEBCHEEP300CYP3A4MAPT
Berberine SCHEMBL17699306 0.98 ACHE (0.98) ACHEBCHEEP300CYP3A4MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102654-B1 METHOD AND KIT FOR DETECTING HERBICIDE RESISTANCE IN PLANTS UNIV AARHUS (DK) 2014-08-13 — — EP claimed
WO-2023116476-A1 METHOD FOR TESTING DISSOLUTION RATE OF SIJI SANHUANG TABLETS 河北省药品医疗器械检验研究院(河北省化妆品检验研究中心) 2023-06-29 — — WO disclosed
CN-111920777-A Berberine hydrochloride tablet and preparation method thereof 四川迪菲特药业有限公司 2020-11-13 — — CN disclosed
CN-111920777-A Berberine hydrochloride tablet and preparation method thereof 四川迪菲特药业有限公司 2020-11-13 — — CN disclosed
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