Paeoniflorin

Paeoniflorin

SCHEMBL7625329

CC.C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@@]12O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.87
GRK2 P25098 1/20 0.78
SYNJ2 O15056 3/20 0.49
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSP90AA1 P07900 1/20 0.34
SELP P16109 1/20 0.33
PTPN1 P18031 1/20 0.33
LGALS9 O00182 1/20 0.33
LGALS1 P09382 1/20 0.33
LGALS3 P17931 1/20 0.33
LGALS7; LGALS7B P47929 1/20 0.33

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
Paeoniflorin SCHEMBL17880403 0.99 SLC22A1 (0.88) SLC22A1GRK2SYNJ2MAOBALDH1A1
Paeoniflorin SCHEMBL13615628 0.99 SLC22A1 (0.88) SLC22A1GRK2SYNJ2MAOBALDH1A1
Paeoniflorin SCHEMBL20009472 0.99 SLC22A1 (0.88) SLC22A1GRK2SYNJ2MAOBALDH1A1
Paeoniflorin SCHEMBL24927267 0.99 SLC22A1 (0.88) SLC22A1GRK2SYNJ2MAOBALDH1A1
Paeoniflorin SCHEMBL14088840 0.99 SLC22A1 (0.88) SLC22A1GRK2SYNJ2MAOBALDH1A1
Paeoniflorin SCHEMBL24935593 0.99 SLC22A1 (0.88) SLC22A1GRK2SYNJ2MAOBALDH1A1
Paeoniflorin SCHEMBL549033 0.99 SLC22A1 (0.88) SLC22A1GRK2SYNJ2MAOBALDH1A1
Paeoniflorin SCHEMBL29396890 0.99 SLC22A1 (0.88) SLC22A1GRK2SYNJ2MAOBALDH1A1
Paeoniflorin SCHEMBL22649040 0.99 SLC22A1 (0.88) SLC22A1GRK2SYNJ2MAOBALDH1A1
Paeoniflorin SCHEMBL15236857 0.99 SLC22A1 (0.88) SLC22A1GRK2SYNJ2MAOBALDH1A1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002085395-A1 TOTAL GLYCOSIDES OF PAEONY, METHOD TO PREPARE THE SAME AND USES THEREOF SANJIU MEDICAL & PHARMACEUTICAL CO., LTD. (CN) 2002-10-31 WO disclosed