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Sugi Predict / Compounds / Arginine

Arginine

Arginine

SCHEMBL6567386

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

nearest known ligand 0.39

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
▸ ALOX15 P16050 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP1A2 P05177 2/20 0.37
▸ GRM8 O00222 1/20 0.37
▸ GRM6 O15303 1/20 0.37
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GSR P00390 1/20 0.37
▸ GRIK1 P39086 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ GRIA1 P42261 1/20 0.37
▸ GRIA2 P42262 1/20 0.37
▸ GRIA3 P42263 1/20 0.37
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37
▸ GRIA4 P48058 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37

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 SCHEMBL6437080 0.98 CYP1A2 (0.38) ALOX15BLMPMP22KMT2ACYP1A2
Arginine SCHEMBL6437076 0.98 CYP1A2 (0.38) ALOX15BLMPMP22KMT2ACYP1A2
Arginine SCHEMBL27620474 0.97 ALOX15 (0.36) ALOX15BLMPMP22KMT2ACYP1A2
Arginine SCHEMBL1835280 0.94 ALOX15 (0.44) ALOX15BLMPMP22KMT2ACYP1A2
Arginine SCHEMBL1835278 0.94 ALOX15 (0.44) ALOX15BLMPMP22KMT2ACYP1A2
Arginine SCHEMBL6565605 0.94 OTC (0.38) ALOX15BLMPMP22KMT2ACYP1A2
Arginine SCHEMBL6565610 0.94 OTC (0.38) ALOX15BLMPMP22KMT2ACYP1A2
Arginine SCHEMBL27848013 0.90 ALOX15 (0.47) ALOX15BLMPMP22KMT2ACYP1A2
Arginine SCHEMBL7036397 0.88 ENPEP (0.33) ALOX15BLMPMP22KMT2ACYP1A2
Arginine SCHEMBL6433292 0.88 OTC (0.42) ALOX15BLMPMP22KMT2ACYP1A2

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
EP-1399147-A2 THERAPEUTIC DELIVERY OF CARBON MONOXIDE Northwick Park Institute For Medical Research (GB) 2004-03-24 — — EP disclosed
WO-2002092075-A2 THERAPEUTIC DELIVERY OF CARBON MONOXIDE NORTHWICK PARK INSTITUTE FOR MEDICAL RESEARCH (GB) 2002-11-21 — — WO disclosed