Valine

Valine

SCHEMBL28031685

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

nearest known ligand 0.75

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.75
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRIK1 P39086 4/20 0.38
GRIK2 Q13002 2/20 0.38
GRM1 Q13255 1/20 0.38
GRM2 Q14416 1/20 0.38
TP53 P04637 1/20 0.35
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
TGFBR1 P36897 1/20 0.33
LAP3 P28838 1/20 0.33
GRIA2 P42262 2/20 0.32
GRIA4 P48058 2/20 0.32
GRIK3 Q13003 2/20 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 SCHEMBL9723866 1.00 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1TDP1
Valine SCHEMBL11857375 0.90 SLC7A5 (0.83) SLC7A5SLC1A3SLC1A2SLC1A1TDP1
Valine SCHEMBL30284825 0.88 SLC7A5 (0.71) SLC7A5SLC1A3SLC1A2SLC1A1TDP1
Valine SCHEMBL29885618 0.87 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Valine SCHEMBL27968792 0.87 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Valine SCHEMBL5500979 0.87 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL9723033 0.87 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL11388654 0.87 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL7610659 0.87 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL18051145 0.87 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53

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 4 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 claimed
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 claimed
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