Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 10/20 | 0.98 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.98 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.98 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 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 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.98 |
| ▸ | DRD2 | P14416 | 2/20 | 0.98 |
| ▸ | TSHR | P16473 | 2/20 | 0.98 |
| ▸ | RXRA | P19793 | 2/20 | 0.98 |
| ▸ | DRD1 | P21728 | 2/20 | 0.98 |
| ▸ | HTR2B | P41595 | 2/20 | 0.98 |
| ▸ | HTT | P42858 | 2/20 | 0.98 |
| ▸ | KCNH2 | Q12809 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Berberine SCHEMBL15669190 | 0.99 | ACHE (1.00) | 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 SCHEMBL220544 | 0.98 | ACHE (0.98) | ACHEBCHEEP300CYP3A4MAPT | |
| Berberine SCHEMBL15936397 | 0.98 | ACHE (0.98) | ACHEBCHEEP300CYP3A4MAPT | |
| Berberine SCHEMBL3686644 | 0.98 | ACHE (0.98) | ACHEBCHEEP300CYP3A4MAPT | |
| Berberine SCHEMBL153906 | 0.98 | ACHE (1.00) | ACHEBCHEEP300CYP3A4MAPT | |
| Berberine SCHEMBL4894622 | 0.98 | BCHE (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019196957-A1 | HYDROPHILIC BERBERINE-TYPE DERIVATIVE AND APPLICATION THEREOF IN PREPARING DRUG | 中国医学科学院药物研究所 | 2019-10-17 | — | — | WO | disclosed |