Arginine

Arginine

SCHEMBL8525152

N=C(N)NCCC[C@H](N)C(=O)O.Nc1cccc2ccccc12

nearest known ligand 0.42

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
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
KEAP1 Q14145 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KIF11 P52732 2/20 0.41
MTNR1A P48039 1/20 0.39
OTC P00480 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
NSD2 O96028 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ITGB3 P05106 1/20 0.38

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 SCHEMBL2485034 0.84 OTC (0.40) KIF11OTCPOLBKMT2ATDP1
Arginine SCHEMBL4728793 0.84 OTC (0.40) KIF11OTCPOLBKMT2ATDP1
Arginine SCHEMBL16553180 0.84 SLC1A3 (0.45) ALDH1A1CYP3A4HSD17B10KIF11ITGB3
Arginine SCHEMBL16553181 0.84 SLC1A3 (0.45) ALDH1A1CYP3A4HSD17B10KIF11ITGB3
Arginine SCHEMBL28268971 0.83 OTC (0.53) CYP3A4TSHROTCNOS3NOS1
Arginine SCHEMBL27833904 0.82 OTC (0.41) KIF11OTCEGLN2NOS3NOS1
SCHEMBL6553039 0.82 TGM2 (0.45) ITGB3ITGA2B
Arginine SCHEMBL28206848 0.82 ALDH1A1 (0.41) ALDH1A1CYP3A4HSD17B10KIF11OTC
Arginine SCHEMBL26914670 0.82 KIF11 (0.46) KIF11OTCEGLN2POLBKMT2A
Arginine SCHEMBL28968817 0.81 KYNU (0.49) OTCNOS3NOS1NOS2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906418-A4 1999-05-06 EP disclosed
EP-0906418-A1 METHODS AND COMPOSITIONS FOR CELLULAR AND METABOLIC ENGINEERING Maxygen, Inc. (US) 1999-04-07 EP disclosed
WO-1997035966-A1 METHODS AND COMPOSITIONS FOR CELLULAR AND METABOLIC ENGINEERING MAXYGEN, INC. (US) 1997-10-02 WO disclosed