Sugi Predict

Sugi Predict / Compounds / Taxagifine

Taxagifine

Taxagifine

SCHEMBL28964410

C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3(O)C4(C)OCC3(C)C(CC4=O)C(OC(C)=O)C12

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 18/20 0.40
▸ NLRP3 Q96P20 1/20 0.39
▸ CYP2C19 P33261 1/20 0.36

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
Taxagifine SCHEMBL29520283 1.00 ABCB1 (0.40) ABCB1NLRP3CYP2C19
SCHEMBL28981503 0.87 ABCB1 (0.42) ABCB1
SCHEMBL30367067 0.87 ABCB1 (0.42) ABCB1
SCHEMBL44183 0.85 ABCB1 (0.41) ABCB1NLRP3
SCHEMBL29425006 0.79 NLRP3 (0.38) ABCB1NLRP3CYP2C19
SCHEMBL44567 0.66 NLRP3 (0.43) ABCB1NLRP3CYP2C19
SCHEMBL31384147 0.66 NLRP3 (0.43) ABCB1NLRP3CYP2C19
Taxuspine J SCHEMBL32665717 0.65 NLRP3 (0.41) ABCB1NLRP3CYP2C19
Taxuspine A SCHEMBL31565642 0.62 ABCB1 (0.41) ABCB1NLRP3
SCHEMBL21892003 0.57 CYP2C19 (0.65) ABCB1CYP2C19

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
CN-115754044-A Application of taxus chinensis Qifen serving as metabolic marker for identifying male and female seedlings of taxus mairei 杭州师范大学 2023-03-07 — — CN disclosed