Arginine

Arginine

SCHEMBL5152371

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

nearest known ligand 0.53

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 19)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.53
GSR P00390 1/20 0.50
DDAH1 O94760 3/20 0.49
NOS2 P35228 7/20 0.47
NOS1 P29475 5/20 0.47
NOS3 P29474 4/20 0.47
ARG2 P78540 4/20 0.46
ARG1 P05089 3/20 0.46
CYP1A2 P05177 2/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
GLA P06280 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 2/20 0.44
ALOX15 P16050 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 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 SCHEMBL27550632 1.00 OTC (0.53) OTCGSRDDAH1NOS2NOS1
Arginine SCHEMBL18301526 0.98 OTC (0.51) OTCGSRDDAH1NOS2NOS1
Arginine SCHEMBL8041512 0.98 OTC (0.51) OTCGSRDDAH1NOS2NOS1
SCHEMBL43287 0.98 GSR (0.52) OTCGSRDDAH1NOS2NOS1
SCHEMBL27615800 0.98 GSR (0.52) OTCGSRDDAH1NOS2NOS1
SCHEMBL880728 0.98 GSR (0.52) OTCGSRDDAH1NOS2NOS1
SCHEMBL10071054 0.98 GSR (0.52) OTCGSRDDAH1NOS2NOS1
SCHEMBL28754154 0.98 GSR (0.52) OTCGSRDDAH1NOS2NOS1
SCHEMBL4221548 0.96 GSR (0.50) OTCGSRDDAH1NOS2NOS1
SCHEMBL4225043 0.96 GSR (0.50) OTCGSRDDAH1NOS2NOS1

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
US-7163958-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED INC. (US) 2007-01-16 US disclosed
EP-1525481-A2 SELECTIVE BINDING AND ANALYSIS OF MACROMOLECULES: QUANTITATIVE ANALYSIS OF PROTEINS IN COMPLEX MIXTURES Shimadzu Research Laboratory (Europe) Ltd. (GB) 2005-04-27 EP disclosed
US-20040024057-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use related applications NITROMED, INC. 2004-02-05 US disclosed
WO-2003102592-A2 SELECTIVE BINDING AND ANALYSIS OF MACROMOLECULES: QUANTITATIVE ANALYSIS OF PROTEINS IN COMPLEX MIXTURES SHIMADZU RESEARCH LABORATORY (EUROPE) LIMITED (GB) 2003-12-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040024057-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use related applications NOS2, NOS1, NOS3 OTC 813/4885GSR 107/4885DDAH1 189/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.