Valine

Valine

SCHEMBL8046877

CC(C)C(N)C(=O)O.CCc1ccccc1S(=O)(=O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.44
SLC1A3 P43003 7/20 0.42
SLC1A2 P43004 7/20 0.42
SLC1A1 P43005 7/20 0.42
CYP1A2 P05177 1/20 0.42
KYNU Q16719 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CTSB P07858 1/20 0.38
MYC P01106 1/20 0.36
CASR P41180 1/20 0.36

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 SCHEMBL8035352 1.00 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1CYP1A2
Isoleucine SCHEMBL8045449 0.89 DPP8 (0.42) SLC1A3SLC1A2SLC1A1CYP1A2KYNU
Isoleucine SCHEMBL8048360 0.89 DPP8 (0.42) SLC1A3SLC1A2SLC1A1CYP1A2KYNU
Leucine SCHEMBL8048130 0.83 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1CYP1A2
Leucine SCHEMBL8047687 0.83 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1CYP1A2
Valine SCHEMBL8432034 0.81 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1CYP1A2
Valine SCHEMBL8432032 0.81 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL34582 0.80 CTSB (0.52) CYP1A2CTSBMYC
SCHEMBL29394818 0.80 CTSB (0.52) CYP1A2CTSBMYC
Ammonia Solution, Strong SCHEMBL23749173 0.79 CTSB (0.50) CTSBMYC

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
US-6072083-A Method for purifying branched chain amino acids AJINOMOTO CO., INC. (JP) 2000-06-06 US disclosed