Valine

Valine

SCHEMBL717780

CC(C)(N)C(=O)O.CC(C)[C@H](N)C(=O)O

nearest known ligand 0.71

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.71
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
DPP4 P27487 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
LAP3 P28838 1/20 0.32
USP2 O75604 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31

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 SCHEMBL717779 1.00 SLC7A5 (0.71) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
Valine SCHEMBL27571970 0.85 SLC7A5 (0.88) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
Valine SCHEMBL15602719 0.85 SLC7A5 (0.88) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
Valine SCHEMBL288203 0.84 SLC7A5 (1.00) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
Valine SCHEMBL2785563 0.84 SLC7A5 (1.00) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
Valine SCHEMBL41225 0.84 SLC7A5 (1.00) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
Valine SCHEMBL31618928 0.84
Valine SCHEMBL43678 0.84
Valine SCHEMBL8516 0.84
Valine SCHEMBL8515 0.84

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124721-B2 Peptides for modulating innate immunity INIMEX PHARMACEUTICALS INC. (CA) 2012-02-28 US disclosed
US-20110262485-A1 STING (STIMULATOR OF INTERFERON GENES), A REGULATOR OF INNATE IMMUNE RESPONSES UNIVERSITY OF MIAMI (US) 2011-10-27 US disclosed
US-20110195048-A1 REGULATION OF LYMPHOCYTES AND USES THEREFOR UNIVERSITY OF MIAMI 2011-08-11 US disclosed
EP-2349315-A1 REGULATION OF LYMPHOCYTES AND USES THEREFOR University of Miami (US) 2011-08-03 EP disclosed
EP-2324044-A2 STING (STIMULATOR OF INTERFERON GENES), A REGULATOR OF INNATE IMMUNE RESPONSES University of Miami (US) 2011-05-25 EP disclosed