Valine

Valine

SCHEMBL1685902

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

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.71
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
USP2 O75604 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
GPR84 Q9NQS5 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
LTA4H P09960 1/20 0.35
CAMK2A Q9UQM7 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34

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 SCHEMBL9667518 0.95 SLC7A5 (0.71) SLC7A5SLC1A3SLC1A2SLC1A1USP2
Valine SCHEMBL15656624 0.90 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1USP2
Valine SCHEMBL10351713 0.90 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1USP2
Octanol SCHEMBL2214937 0.90 SLC7A5 (0.58) SLC7A5SLC1A2SLC1A1GPR84FFAR1
Valine SCHEMBL8022867 0.89 SLC7A5 (0.62) SLC7A5SLC1A3SLC1A2SLC1A1GPR84
Valine SCHEMBL167939 0.88 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2SLC1A1USP2
Valine SCHEMBL28143994 0.87 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1USP2
Valine SCHEMBL28426449 0.86 SLC7A5 (0.71) SLC7A5SLC1A3SLC1A2SLC1A1USP2
Valine SCHEMBL30099875 0.86 SLC7A5 (0.71) SLC7A5SLC1A3SLC1A2SLC1A1USP2
Valine SCHEMBL1550071 0.86 SLC7A5 (0.71) SLC7A5SLC1A3SLC1A2SLC1A1USP2

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-2011041870-A1 NON-STEROIDAL ANTI-INFLAMMATORY DRUGS COADMINISTERED WITH NITRIC OXIDE AMINO ACID ESTER COMPOUNDS AS PROPHYLAXIS IN HYPERTENSIVE PATIENTS NITROGENIX INC. (VG) 2011-04-14 WO disclosed