Arginine

Arginine

SCHEMBL1462462

C[N+](C)(C)C[C@H](O)CC(=O)[O-].N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](CS)C(=O)O

nearest known ligand 0.44

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
▸ SLC22A16 Q86VW1 1/20 0.44
▸ CPT2 P23786 2/20 0.37
▸ CPT1A P50416 2/20 0.37
▸ OTC P00480 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ SLC7A11 Q9UPY5 1/20 0.36
▸ NOS2 P35228 4/20 0.35
▸ NOS3 P29474 3/20 0.35
▸ NOS1 P29475 3/20 0.35
▸ CPT1B Q92523 1/20 0.35
▸ DDAH1 O94760 1/20 0.35
▸ CYP2C19 P33261 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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 SCHEMBL22577747 1.00 SLC22A16 (0.44) SLC22A16CPT2CPT1AOTCPTGS1
Arginine SCHEMBL27902011 0.94 SLC22A16 (0.50) SLC22A16CPT2CPT1AOTCNOS2
Arginine SCHEMBL27492468 0.93 SLC22A16 (0.49) SLC22A16CPT2CPT1AOTCNOS2
Arginine SCHEMBL28276672 0.88 SLC22A16 (0.43) SLC22A16CPT2CPT1AOTCNOS2
Carnitine SCHEMBL1462464 0.87 SLC22A16 (0.43) SLC22A16CPT2CPT1ACPT1BCYP2C19
Arginine SCHEMBL15323966 0.87 SLC22A16 (0.43) SLC22A16CPT2CPT1AOTCNOS2
L-Citrulline SCHEMBL25363292 0.85 SLC22A16 (0.53) SLC22A16CPT2CPT1AOTCNOS2
Carnitine SCHEMBL20745548 0.83 SLC22A16 (0.65) SLC22A16CPT2CPT1APTGS1SLC7A11
Arginine SCHEMBL5586520 0.83 PTGS1 (0.52) OTCPTGS1SLC7A11NOS2NOS3
Levocarnitine SCHEMBL20745546 0.83 SLC22A16 (0.65) SLC22A16CPT2CPT1APTGS1SLC7A11

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-2494075-A2 TEMPLATED NANOCONJUGATES Northwestern University (US) 2012-09-05 — — EP disclosed
EP-2473160-A1 DELIVERY OF THERAPEUTIC AGENTS USING OLIGONUCLEOTIDE-MODIFIED NANOPARTICLES AS CARRIERS Northwestern University (US) 2012-07-11 — — EP disclosed
WO-2011053940-A2 TEMPLATED NANOCONJUGATES NORTHWESTERN UNIVERSITY (US) 2011-05-05 — — WO disclosed
WO-2011028850-A1 DELIVERY OF THERAPEUTIC AGENTS USING OLIGONUCLEOTIDE-MODIFIED NANOPARTICLES AS CARRIERS NORTHWESTERN UNIVERSITY (US) 2011-03-10 — — WO disclosed
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