Arginine

Arginine

SCHEMBL2729038

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

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACE

The experimentally established mechanism targets of Arginine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.54
DDAH1 O94760 4/20 0.50
NOS2 P35228 6/20 0.49
NOS1 P29475 6/20 0.49
NOS3 P29474 5/20 0.49
GSR P00390 1/20 0.47
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 2/20 0.46
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
MEN1 O00255 1/20 0.43
ARG2 P78540 4/20 0.43
ARG1 P05089 3/20 0.43
CYP3A4 P08684 1/20 0.42

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
Arginine SCHEMBL27996908 1.00 OTC (0.54) OTCDDAH1NOS2NOS1NOS3
Arginine SCHEMBL15890 1.00 OTC (0.54) OTCDDAH1NOS2NOS1NOS3
Arginine SCHEMBL4332185 1.00 OTC (0.54) OTCDDAH1NOS2NOS1NOS3
Arginine SCHEMBL15889 1.00 OTC (0.54) OTCDDAH1NOS2NOS1NOS3
Arginine SCHEMBL28725103 1.00 OTC (0.54) OTCDDAH1NOS2NOS1NOS3
Arginine SCHEMBL23608085 0.98 OTC (0.53) OTCDDAH1NOS2NOS1NOS3
Arginine SCHEMBL17629209 0.98 OTC (0.53) OTCDDAH1NOS2NOS1NOS3
Arginine SCHEMBL28165841 0.98 OTC (0.53) OTCDDAH1NOS2NOS1NOS3
Arginine SCHEMBL16486916 0.98 OTC (0.53) OTCDDAH1NOS2NOS1NOS3
Arginine SCHEMBL423342 0.98 OTC (0.53) OTCDDAH1NOS2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012057739-A1 ORAL CARE COMPOSITION COMPRISING ARGININE AND CALCIUM CARBONATE COLGATE-PALMOLIVE COMPANY (US) 2012-05-03 WO claimed
WO-2012057739-A1 ORAL CARE COMPOSITION COMPRISING ARGININE AND CALCIUM CARBONATE COLGATE-PALMOLIVE COMPANY (US) 2012-05-03 WO disclosed