Gitoxin

Gitoxin

SCHEMBL18364705

C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)[C@@H](O)C[C@]54O)C3)O[C@@H]2C)C[C@H](O)C1O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.83
ATP1A1 P05023 6/20 0.83
ATP1B1 P05026 6/20 0.83
ATP1B2 P14415 6/20 0.83
ATP1A2 P50993 6/20 0.83
ATP1B3 P54709 6/20 0.83
ATP1A3 P13637 5/20 0.83
FXYD2 P54710 5/20 0.83
ATP1A4 Q13733 5/20 0.83
SMN1; SMN2 Q16637 4/20 0.83
LMNA P02545 4/20 0.83
RAB9A P51151 3/20 0.83
NPC1 O15118 2/20 0.83
STAT3 P40763 2/20 0.83
MAPT P10636 2/20 0.83
USP2 O75604 1/20 0.83
ABCB11 O95342 1/20 0.83
SLCO4C1 Q6ZQN7 1/20 0.83
PAX8 Q06710 2/20 0.73
GLA P06280 1/20 0.73

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 SCHEMBL27272378 1.00 TP53 (0.83) TP53ATP1A1ATP1B1ATP1B2ATP1A2
Gitoxin SCHEMBL12556684 1.00 TP53 (0.83) TP53ATP1A1ATP1B1ATP1B2ATP1A2
Gitoxin SCHEMBL25639501 1.00 TP53 (0.83) TP53ATP1A1ATP1B1ATP1B2ATP1A2
Gitoxin SCHEMBL29691433 1.00 TP53 (0.83) TP53ATP1A1ATP1B1ATP1B2ATP1A2
Gitoxin SCHEMBL18947800 1.00 TP53 (0.83) TP53ATP1A1ATP1B1ATP1B2ATP1A2
Gitoxin SCHEMBL309847 1.00 TP53 (0.83) TP53ATP1A1ATP1B1ATP1B2ATP1A2
Gitoxin SCHEMBL30883086 1.00 TP53 (0.83) TP53ATP1A1ATP1B1ATP1B2ATP1A2
Gitoxin SCHEMBL14648721 1.00 TP53 (0.83) TP53ATP1A1ATP1B1ATP1B2ATP1A2
Gitoxin SCHEMBL20582695 1.00 TP53 (0.83) TP53ATP1A1ATP1B1ATP1B2ATP1A2
Gitoxin SCHEMBL27272388 1.00 TP53 (0.83) TP53ATP1A1ATP1B1ATP1B2ATP1A2

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
US-20170007633-A1 TREATMENT OF NEURODEGENERATIVE AND NEURODEVELOPMENTAL DISEASES BY INHIBITION OF THE a2-Na/K ATPase/a-ADDUCIN COMPLEX NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-01-12 US disclosed
US-20170007633-A1 TREATMENT OF NEURODEGENERATIVE AND NEURODEVELOPMENTAL DISEASES BY INHIBITION OF THE a2-Na/K ATPase/a-ADDUCIN COMPLEX NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-01-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170007633-A1 TREATMENT OF NEURODEGENERATIVE AND NEURODEVELOPMENTAL DISEASES BY INHIBITION OF THE a2-Na/K ATPase/a-ADDUCIN COMPLEX ATP6V1B2, ATP1A2, ATP1B2 TP53 4659/4885ATP1A1 9/4885ATP1B1 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.