Aspartic Acid

Aspartic Acid

SCHEMBL7422749

C1CCC(NC2CCCCC2)CC1.N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.49

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Known targets — ChEMBL curated mechanism

SSTR1SSTR2SSTR3SSTR5

The experimentally established mechanism targets of Aspartic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.49
ALDH1A1 P00352 3/20 0.47
GRIK2 Q13002 2/20 0.46
HSD17B10 Q99714 1/20 0.43
DPP7 Q9UHL4 1/20 0.40
DPP4 P27487 2/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
GRIK3 Q13003 1/20 0.39
GRIK5 Q16478 1/20 0.39
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ANPEP P15144 2/20 0.38
ERAP2 Q6P179 2/20 0.38
GRM1 Q13255 1/20 0.37
GRM2 Q14416 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
Aspartic Acid SCHEMBL7422744 1.00 GRIK1 (0.49) GRIK1ALDH1A1GRIK2HSD17B10DPP7
Aspartic Acid SCHEMBL27975470 1.00 GRIK1 (0.49) GRIK1ALDH1A1GRIK2HSD17B10DPP7
Aspartic Acid SCHEMBL7422755 1.00 GRIK1 (0.49) GRIK1ALDH1A1GRIK2HSD17B10DPP7
Serine SCHEMBL10579332 0.84 ALDH1A1 (0.44) GRIK1ALDH1A1GRIK2HSD17B10THRB
Serine SCHEMBL10579320 0.84 ALDH1A1 (0.44) GRIK1ALDH1A1GRIK2HSD17B10THRB
Biphenyl SCHEMBL7779237 0.83 GRIK1 (0.53) GRIK1ALDH1A1GRIK2DPP7DPP4
Glutamic Acid SCHEMBL27975498 0.83 GRM8 (0.60) GRIK1ALDH1A1GRIK2HSD17B10DPP7
D-Glutamate SCHEMBL27975473 0.83 GRM8 (0.60) GRIK1ALDH1A1GRIK2HSD17B10DPP7
Leucine SCHEMBL3724837 0.83 SLC7A5 (0.60) GRIK1ALDH1A1GRIK2HSD17B10DPP7
Leucine SCHEMBL3724834 0.83 SLC7A5 (0.60) GRIK1ALDH1A1GRIK2HSD17B10DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993006127-A1 NOVEL AMINO ACID PRODRUG RENIN INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-04-01 WO disclosed