L-Citrulline

L-Citrulline

SCHEMBL288641

NC(=O)NCCC[C@H](N)C(=O)O.NC(=O)NCCC[C@H](N)C(=O)O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.59
DDAH1 O94760 4/20 0.54
GSR P00390 2/20 0.52
NOS2 P35228 4/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 2/20 0.50
TSHR P16473 2/20 0.50
GLA P06280 1/20 0.50
NFKB1 P19838 1/20 0.50
APEX1 P27695 1/20 0.50
KMT2A Q03164 2/20 0.48
ALOX15 P16050 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
NOS1 P29475 4/20 0.47
NOS3 P29474 3/20 0.47
MEN1 O00255 1/20 0.47
ARG2 P78540 4/20 0.47
ARG1 P05089 3/20 0.47
CYP3A4 P08684 1/20 0.46

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
L-Citrulline SCHEMBL20588 1.00 OTC (0.59) OTCDDAH1GSRNOS2CYP1A2
L-Citrulline SCHEMBL215403 1.00 OTC (0.59) OTCDDAH1GSRNOS2CYP1A2
L-Citrulline SCHEMBL20587 1.00 OTC (0.59) OTCDDAH1GSRNOS2CYP1A2
L-Citrulline SCHEMBL9070200 1.00 OTC (0.59) OTCDDAH1GSRNOS2CYP1A2
L-Citrulline SCHEMBL437142 1.00 OTC (0.59) OTCDDAH1GSRNOS2CYP1A2
L-Citrulline SCHEMBL15909605 1.00 OTC (0.59) OTCDDAH1GSRNOS2CYP1A2
L-Citrulline SCHEMBL4542892 1.00 OTC (0.59) OTCDDAH1GSRNOS2CYP1A2
L-Citrulline SCHEMBL15909604 1.00 OTC (0.59) OTCDDAH1GSRNOS2CYP1A2
L-Citrulline SCHEMBL22426116 1.00 OTC (0.59) OTCDDAH1GSRNOS2CYP1A2
L-Citrulline SCHEMBL20742804 0.98 OTC (0.57) OTCDDAH1GSRNOS2CYP1A2

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
EP-2449488-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES Life Sciences AG (AT) 2012-05-09 EP disclosed
EP-2427773-A1 METHOD OF DIAGNOSING ASPHYXIA Keller, Matthias (DE) 2012-03-14 EP disclosed
WO-2011000753-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES LIFE SCIENCES AG (AT) 2011-01-06 WO disclosed
WO-2010128054-A1 METHOD OF DIAGNOSING ASPHYXIA BIOCRATES LIFE SCIENCES AG (AT) 2010-11-11 WO disclosed