Baicalein

Baicalein

SCHEMBL28870586

O=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.68
KMT2A Q03164 4/20 0.68
CREB1 P16220 4/20 0.68
CDK1 P06493 3/20 0.68
CCNB1 P14635 3/20 0.68
GABRP O00591 3/20 0.68
GABRD O14764 3/20 0.68
GABRA1 P14867 3/20 0.68
GABRB1 P18505 3/20 0.68
GABRG2 P18507 3/20 0.68
GABRB3 P28472 3/20 0.68
GABRA5 P31644 3/20 0.68
GABRA3 P34903 3/20 0.68
GABRA2 P47869 3/20 0.68
GABRB2 P47870 3/20 0.68
GABRA4 P48169 3/20 0.68
GABRE P78334 3/20 0.68
GABRA6 Q16445 3/20 0.68
GABRG1 Q8N1C3 3/20 0.68
GABRG3 Q99928 3/20 0.68

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
Baicalin SCHEMBL8166294 0.85 ALDH1A1 (0.93) ABCB1KMT2ACREB1CDK1CCNB1
Baicalin SCHEMBL6422596 0.85 ALDH1A1 (0.91) ABCB1KMT2ACREB1CDK1CCNB1
Baicalein SCHEMBL5695785 0.82 ABCB1 (1.00) ABCB1KMT2ACREB1CDK1CCNB1
Baicalein SCHEMBL139617 0.82 ABCB1 (1.00) ABCB1KMT2ACREB1CDK1CCNB1
Baicalein SCHEMBL29385549 0.82 ABCB1 (1.00) ABCB1KMT2ACREB1CDK1CCNB1
Baicalein SCHEMBL28372093 0.81 ABCB1 (0.97) ABCB1KMT2ACREB1CDK1CCNB1
Baicalein SCHEMBL28826034 0.81 ABCB1 (0.97) ABCB1KMT2ACREB1CDK1CCNB1
Baicalein SCHEMBL28630648 0.81 ABCB1 (0.97) ABCB1KMT2ACREB1CDK1CCNB1
Baicalein SCHEMBL28198926 0.81 ABCB1 (0.97) ABCB1KMT2ACREB1CDK1CCNB1
Baicalein SCHEMBL28206740 0.81 ABCB1 (0.97) ABCB1KMT2ACREB1CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114470222-A Application of polyethylene glycol in preparation of medicine for promoting absorption and transportation of flavonoid compound in intestinal tract 贵州医科大学 2022-05-13 CN disclosed
CN-105087453-B Genetic engineering bacterium for biocatalysis flavone compound glucuronic acid glycosidation 中国医学科学院药物研究所 2019-09-13 CN disclosed
CN-109381468-A Application of the scutelloside with sugar side chains in intake type transporter OATP1B1 regulator 苏州大学 2019-02-26 CN disclosed