SCHEMBL7748632

SCHEMBL7748632

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nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 1/20 0.30

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
SCHEMBL21988621 0.83 TSHR (0.44) —
SCHEMBL29090621 0.82 ALDH1A1 (0.41) SLC1A1
SCHEMBL678279 0.82 ALDH1A1 (0.41) SLC1A1
SCHEMBL2158686 0.81 SLC1A1 (0.37) SLC1A1
SCHEMBL29816455 0.81 — —
SCHEMBL2025040 0.81 PTGS1 (0.43) —
SCHEMBL28742569 0.79 SLC7A5 (0.48) SLC1A1
Acetic Acid SCHEMBL27618719 0.78 ALDH1A1 (0.38) SLC1A1
SCHEMBL25336668 0.77 — —
SCHEMBL1237866 0.76 ALOX15 (0.48) SLC1A1

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-2001046898-A2 METHOD OF AND COMPUTER PROGRAM PRODUCT FOR MODELING METABOLIC PROCESSES GLAXO GROUP LIMITED (GB) 2001-06-28 — — WO disclosed
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