Athraquinones A

Athraquinones A

SCHEMBL21114402

O=C1c2ccccc2C(=O)c2c1ccc(O)c2O.O=C1c2ccccc2C(=O)c2c1ccc(O)c2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 1.00
▸ MEN1 O00255 7/20 1.00
▸ KMT2A Q03164 7/20 1.00
▸ MAOA P21397 7/20 1.00
▸ MCL1 Q07820 6/20 1.00
▸ ALDH1A1 P00352 5/20 1.00
▸ MAPK1 P28482 5/20 1.00
▸ HPGD P15428 5/20 1.00
▸ ALOX15 P16050 4/20 1.00
▸ HSD17B10 Q99714 4/20 1.00
▸ BCL2 P10415 4/20 1.00
▸ KDM4E B2RXH2 3/20 1.00
▸ CYP3A4 P08684 3/20 1.00
▸ RECQL P46063 3/20 1.00
▸ SMN1; SMN2 Q16637 3/20 1.00
▸ APEX1 P27695 2/20 1.00
▸ ALOX12 P18054 2/20 1.00
▸ DAPK1 P53355 2/20 1.00
▸ CYP1B1 Q16678 2/20 1.00
▸ TDP1 Q9NUW8 5/20 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
Athraquinones A SCHEMBL4972786 1.00 MAPT (1.00) MAPTMEN1KMT2AMAOAMCL1
Athraquinones A SCHEMBL29373337 1.00 MAPT (1.00) MAPTMEN1KMT2AMAOAMCL1
Athraquinones A SCHEMBL18614 1.00 MAPT (1.00) MAPTMEN1KMT2AMAOAMCL1
Athraquinones A SCHEMBL30498009 0.98 MAPT (0.96) MAPTMEN1KMT2AMAOAMCL1
Athraquinones A SCHEMBL22471867 0.98 MAPT (0.96) MAPTMEN1KMT2AMAOAMCL1
Athraquinones A SCHEMBL7839563 0.98 MAPT (0.96) MAPTMEN1KMT2AMAOAMCL1
Athraquinones A SCHEMBL3228431 0.98 MAPT (0.96) MAPTMEN1KMT2AMAOAMCL1
Athraquinones A SCHEMBL6848070 0.98 MAPT (0.96) MAPTMEN1KMT2AMAOAMCL1
Athraquinones A SCHEMBL11805858 0.98 MAPT (0.96) MAPTMEN1KMT2AMAOAMCL1
Athraquinones A SCHEMBL10586416 0.98 MAPT (0.96) MAPTMEN1KMT2AMAOAMCL1

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
US-20190214145-A1 Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen KUREK ITZHAK (US) 2019-07-11 — — US disclosed
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