Berberine

Berberine

SCHEMBL8028667

COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.O=C([O-])c1ccccc1

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D

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
BCHE P06276 6/20 0.78
ACHE P22303 6/20 0.78
EP300 Q09472 4/20 0.78
ALDH1A1 P00352 2/20 0.78
LMNA P02545 2/20 0.78
CYP3A4 P08684 2/20 0.78
CYP2D6 P10635 2/20 0.78
MAPT P10636 2/20 0.78
CHRM1 P11229 2/20 0.78
DRD2 P14416 2/20 0.78
TSHR P16473 2/20 0.78
ADRA2B P18089 2/20 0.78
ADRA2C P18825 2/20 0.78
RXRA P19793 2/20 0.78
DRD1 P21728 2/20 0.78
HTR2B P41595 2/20 0.78
HTT P42858 2/20 0.78
RAD52 P43351 2/20 0.78
KCNH2 Q12809 2/20 0.78
SMN1; SMN2 Q16637 2/20 0.78

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 SCHEMBL10390785 0.90 BCHE (0.81) BCHEACHEEP300ALDH1A1LMNA
Berberine SCHEMBL3686872 0.89 BCHE (0.90) BCHEACHEEP300ALDH1A1LMNA
SCHEMBL2742490 0.89 CHIT1 (0.77) BCHEACHEEP300ALDH1A1LMNA
Berberine SCHEMBL29569974 0.89 BCHE (0.89) BCHEACHEEP300ALDH1A1LMNA
Berberine SCHEMBL15669190 0.88 ACHE (1.00) BCHEACHEEP300ALDH1A1LMNA
Berberine SCHEMBL30153843 0.88 ACHE (1.00) BCHEACHEEP300ALDH1A1LMNA
Berberine SCHEMBL25632 0.88 ACHE (1.00) BCHEACHEEP300ALDH1A1LMNA
Berberine SCHEMBL29354144 0.88 ACHE (1.00) BCHEACHEEP300ALDH1A1LMNA
Berberine SCHEMBL29570291 0.88 BCHE (0.87) BCHEACHEEP300ALDH1A1LMNA
Berberine SCHEMBL231967 0.88 BCHE (0.87) BCHEACHEEP300ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115528-A1 COMPOSITION FOR EXTERNAL APPLICATION KAO CORPORATION (JP) 2024-04-11 US disclosed
WO-2024024520-A1 COMPOSITION FOR EXTERNAL PREPARATION 花王株式会社 2024-02-01 WO disclosed
EP-4285931-A1 COMPOSITION FOR EXTERNAL APPLICATION Kao Corporation (JP) 2023-12-06 EP disclosed
CN-116723865-A External composition 花王株式会社 2023-09-08 CN disclosed
US-20160325011-A1 AQUEOUS DISPERSION FOR SOLIDIFYING SERUM AND BLOOD NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-11-10 US disclosed
EP-3088008-A1 AQUEOUS DISPERSION FOR SOLIDIFYING SERUM AND BLOOD Nissan Chemical Industries, Ltd. (JP) 2016-11-02 EP disclosed
JP-2000212090-A SKIN-MODIFYING AGENT ITO MITSUKO 2000-08-02 JP disclosed