Gitoxin

Gitoxin

SCHEMBL9939669

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nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 7/20 0.79
ATP1B1 P05026 7/20 0.79
ATP1A3 P13637 7/20 0.79
ATP1B2 P14415 7/20 0.79
ATP1A2 P50993 7/20 0.79
ATP1B3 P54709 7/20 0.79
FXYD2 P54710 7/20 0.79
ATP1A4 Q13733 7/20 0.79
TP53 P04637 6/20 0.79
SMN1; SMN2 Q16637 4/20 0.79
LMNA P02545 4/20 0.79
RAB9A P51151 3/20 0.79
NPC1 O15118 2/20 0.79
STAT3 P40763 2/20 0.79
USP2 O75604 1/20 0.79
ABCB11 O95342 1/20 0.79
MAPT P10636 1/20 0.79
SLCO4C1 Q6ZQN7 1/20 0.79
PAX8 Q06710 2/20 0.70
GLA P06280 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
Gitoxin SCHEMBL25639501 0.97 TP53 (0.83) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Gitoxin SCHEMBL29691433 0.97 TP53 (0.83) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Gitoxin SCHEMBL30883086 0.97 TP53 (0.83) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Gitoxin SCHEMBL18947800 0.97 TP53 (0.83) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Gitoxin SCHEMBL18364705 0.97 TP53 (0.83) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Gitoxin SCHEMBL12556684 0.97 TP53 (0.83) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Gitoxin SCHEMBL14648721 0.97 TP53 (0.83) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Gitoxin SCHEMBL309847 0.97 TP53 (0.83) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Gitoxin SCHEMBL20582695 0.97 TP53 (0.83) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Gitoxin SCHEMBL27272378 0.97 TP53 (0.83) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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-2012082771-A1 CARDIAC GLYCOSIDES FOR TREATING AUTOIMMUNE DISEASE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-06-21 WO disclosed