Valine

Valine

SCHEMBL28031093

CC(C)C(N)C(=O)O.COC(C)=O

nearest known ligand 0.71

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.71
SLC1A1 P43005 4/20 0.48
SLC1A3 P43003 3/20 0.48
SLC1A2 P43004 3/20 0.48
ALDH1A1 P00352 2/20 0.48
DPP4 P27487 1/20 0.38
FAP Q12884 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
ACHE P22303 1/20 0.37
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.33
LAP3 P28838 1/20 0.32

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
Valine SCHEMBL11516641 0.86 SLC7A5 (0.71) SLC7A5SLC1A1SLC1A3SLC1A2DPP4
Valine SCHEMBL10362244 0.86 SLC7A5 (0.71) SLC7A5SLC1A1SLC1A3SLC1A2DPP4
Valine SCHEMBL9723033 0.85 SLC7A5 (0.88) SLC7A5SLC1A1SLC1A3SLC1A2ALDH1A1
Valine SCHEMBL7610657 0.85 SLC7A5 (0.88) SLC7A5SLC1A1SLC1A3SLC1A2ALDH1A1
Valine SCHEMBL18051144 0.85 SLC7A5 (0.88) SLC7A5SLC1A1SLC1A3SLC1A2ALDH1A1
Valine SCHEMBL18051145 0.85 SLC7A5 (0.88) SLC7A5SLC1A1SLC1A3SLC1A2ALDH1A1
Valine SCHEMBL7610659 0.85 SLC7A5 (0.88) SLC7A5SLC1A1SLC1A3SLC1A2ALDH1A1
Valine SCHEMBL5500979 0.85 SLC7A5 (0.88) SLC7A5SLC1A1SLC1A3SLC1A2ALDH1A1
Valine SCHEMBL11388654 0.85 SLC7A5 (0.88) SLC7A5SLC1A1SLC1A3SLC1A2ALDH1A1
Valine SCHEMBL1813972 0.84 SLC7A5 (1.00) SLC7A5SLC1A1SLC1A3SLC1A2ALDH1A1

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
CN-103743784-B Based on the enantiomorph potentiometric sensor of four (4-tert-butyl-phenyl) potassium borate and the application in valine methyl ester detects thereof YUNNAN NORMAL UNIVERSITY (CN) 2016-01-20 CN disclosed
CN-103743795-B Based on the enantiomorph potentiometric sensor of sodium tetraphenylborate and the application in valine methyl ester detects thereof YUNNAN NORMAL UNIVERSITY (CN) 2015-09-30 CN disclosed