Sugi Predict

Sugi Predict / Compounds / Zanamivir

Zanamivir

Zanamivir

SCHEMBL496815

CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N.CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N.CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NA

The experimentally established mechanism targets of Zanamivir. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NEU2 Q9Y3R4 7/20 0.72
▸ NEU3 Q9UQ49 5/20 0.70
▸ NEU4 Q8WWR8 5/20 0.70
▸ NEU1 Q99519 5/20 0.70
▸ LMNA P02545 1/20 0.70

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
Zanamivir SCHEMBL13169991 1.00 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL3497032 1.00 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL14080017 1.00 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL11946705 1.00 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL12367840 1.00 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL15448958 1.00 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL456058 1.00 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL13459831 1.00 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL13693731 1.00 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA
Zanamivir SCHEMBL13980833 1.00 NEU2 (0.72) NEU2NEU3NEU4NEU1LMNA

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2410984-A2 ANTI-INFLUENZA FORMULATIONS AND METHODS Pulmatrix, Inc. (US) 2012-02-01 — — EP disclosed
WO-2010111640-A2 ANTI-INFLUENZA FORMULATIONS AND METHODS PULMATRIX, INC. (US) 2010-09-30 — — WO disclosed