Arginine

Arginine

SCHEMBL3789787

Cc1ccc(S(=O)(=O)O)cc1.N=C(N)NCCC[C@H](N)C(=O)O.O

nearest known ligand 0.46

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 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.46
▸ ITGA2B P08514 2/20 0.46
▸ CYP2D6 P10635 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SLC1A3 P43003 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39
▸ SLC1A1 P43005 1/20 0.39
▸ CASR P41180 2/20 0.39
▸ KIF11 P52732 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALB P02768 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ OTC P00480 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 SCHEMBL16553031 0.99 ITGB3 (0.47) ITGB3ITGA2BCYP2D6MAPK1SLC1A3
Arginine SCHEMBL956656 0.99 ITGB3 (0.47) ITGB3ITGA2BCYP2D6MAPK1SLC1A3
Arginine SCHEMBL16552839 0.88 CASR (0.44) CYP2D6MAPK1CASRKIF11TSHR
Arginine SCHEMBL16553173 0.88 CASR (0.44) CYP2D6MAPK1CASRKIF11TSHR
Arginine SCHEMBL16879777 0.84 KIF11 (0.47) KIF11TDP1OTC
SCHEMBL10947926 0.83 CYP2D6 (0.43) ITGB3ITGA2BCYP2D6MAPK1SLC1A3
SCHEMBL10947915 0.83 CYP2D6 (0.43) ITGB3ITGA2BCYP2D6MAPK1SLC1A3
Arginine SCHEMBL17874428 0.82 PMP22 (0.50) TSHROTC
Arginine SCHEMBL6468370 0.82 PMP22 (0.50) TSHROTC
Arginine SCHEMBL6468371 0.82 PMP22 (0.50) TSHROTC

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-2222754-A2 THERMORESPONSIVE ARGININE-BASED HYDROGELS AS BIOLOGIC CARRIERS Cornell University (US) 2010-09-01 — — EP disclosed
WO-2009073541-A2 THERMORESPONSIVE ARGININE-BASED HYDROGELS AS BIOLOGIC CARRIERS CORNELL UNIVERSITY (US) 2009-06-11 — — WO disclosed
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