Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Baicalein. 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 | |
|---|---|---|---|---|
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.62 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.62 |
| ▸ | ABCB1 | P08183 | 6/20 | 0.89 |
| ▸ | PTPRS | Q13332 | 6/20 | 0.89 |
| ▸ | CREB1 | P16220 | 6/20 | 0.89 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.89 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.89 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.89 |
| ▸ | FTO | Q9C0B1 | 4/20 | 0.89 |
| ▸ | GABRP | O00591 | 3/20 | 0.89 |
| ▸ | GABRD | O14764 | 3/20 | 0.89 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.89 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.89 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.89 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.89 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.89 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.89 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.89 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.89 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.89 |
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 | |
|---|---|---|---|---|
| Baicalein SCHEMBL28910096 | 0.99 | ABCB1 (0.86) | ABCB1PTPRSCREB1CYP1A1KMT2A | |
| Baicalein SCHEMBL29385549 | 0.94 | ABCB1 (1.00) | ABCB1PTPRSCREB1CYP1A1KMT2A | |
| Baicalein SCHEMBL139617 | 0.94 | ABCB1 (1.00) | ABCB1PTPRSCREB1CYP1A1KMT2A | |
| Baicalein SCHEMBL5695785 | 0.94 | ABCB1 (1.00) | ABCB1PTPRSCREB1CYP1A1KMT2A | |
| Baicalein SCHEMBL28630648 | 0.93 | ABCB1 (0.97) | ABCB1PTPRSCREB1CYP1A1KMT2A | |
| Baicalein SCHEMBL28372093 | 0.93 | ABCB1 (0.97) | ABCB1PTPRSCREB1CYP1A1KMT2A | |
| Baicalein SCHEMBL28206740 | 0.93 | ABCB1 (0.97) | ABCB1PTPRSCREB1CYP1A1KMT2A | |
| Baicalein SCHEMBL28826034 | 0.93 | ABCB1 (0.97) | ABCB1PTPRSCREB1CYP1A1KMT2A | |
| Baicalein SCHEMBL28198926 | 0.93 | ABCB1 (0.97) | ABCB1PTPRSCREB1CYP1A1KMT2A | |
| Baicalein SCHEMBL28087999 | 0.93 | ABCB1 (0.97) | ABCB1PTPRSCREB1CYP1A1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109125316-A | The reduce blood ammonia of baicalein sulfonated derivatives acts on and its medical usage | 车庆明 | 2019-01-04 | — | — | CN | disclosed |
| CN-106496175-A | The derivative of scutelloside, Preparation method and use | 车庆明 | 2017-03-15 | — | — | CN | disclosed |