Arginine

Arginine

SCHEMBL8073440

CC(C)C[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.34

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
MC4R P32245 1/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34
TUBA3E Q6PEY2 2/20 0.34
TUBA1A Q71U36 2/20 0.34
TUBA1C Q9BQE3 2/20 0.34
TUBB6 Q9BUF5 2/20 0.34
TUBB2B Q9BVA1 2/20 0.34
TUBB1 Q9H4B7 2/20 0.34
CXCR4 P61073 2/20 0.33
APLNR P35414 3/20 0.33
KDM1A O60341 3/20 0.32
MAOB P27338 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 SCHEMBL6040161 0.99 TUBB4A (0.34) MC4RTUBB4ATUBBTUBA3CTUBA1B
Arginine SCHEMBL28079278 0.93 TUBB4A (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Histidine SCHEMBL7759763 0.90 GSR (0.32) GHSR
Arginine SCHEMBL27447445 0.89 TUBB4A (0.35) MC4RTUBB4ATUBBTUBA3CTUBA1B
Arginine SCHEMBL18042243 0.87 MC4R (0.33) MC4RTUBB4ATUBBTUBA3CTUBA1B
Arginine SCHEMBL27510584 0.87 APLNR (0.33) APLNRMAPK8MAPK9MAPK10
Histidine SCHEMBL8428516 0.87 GHSR (0.30) GHSR
Arginine SCHEMBL27090217 0.87 TUBB4A (0.36) MC4RTUBB4ATUBBTUBA3CTUBA1B
Histidine SCHEMBL7757156 0.87
Arginine SCHEMBL28048007 0.86 KDM1A (0.34) MC4RTUBB4ATUBBTUBA3CTUBA1B

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-1019727-A1 IMMUNOASSAY FOR THE DETECTION OF CANCER AMDL, INC (US) 2000-07-19 EP disclosed
WO-1998055872-A1 IMMUNOASSAY FOR THE DETECTION OF CANCER AMDL, INC. (US) 1998-12-10 WO disclosed