Aspartic Acid

Aspartic Acid

SCHEMBL8508697

NC(CC(=O)O)C(=O)O.NCC(=O)O.NCCCCCC(N)C(=O)O

nearest known ligand 0.71

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Known targets — ChEMBL curated mechanism

SLC6A2SLC6A3

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 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.71
ARG2 P78540 4/20 0.46
ARG1 P05089 3/20 0.46
CPB2 Q96IY4 2/20 0.44
RNPEP Q9H4A4 1/20 0.44
CYP1A2 P05177 2/20 0.44
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRM5 P41594 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
GRIA4 P48058 1/20 0.44

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 SCHEMBL8508901 1.00 GSR (0.71) GSRARG2ARG1CPB2RNPEP
Aspartic Acid SCHEMBL8508899 1.00 GSR (0.71) GSRARG2ARG1CPB2RNPEP
Aspartic Acid SCHEMBL8508699 1.00 GSR (0.71) GSRARG2ARG1CPB2RNPEP
Lysine SCHEMBL614905 0.98 GSR (0.74) GSRARG2ARG1CPB2RNPEP
Lysine SCHEMBL2589784 0.94 GSR (0.80) GSRARG2ARG1CPB2RNPEP
Lysine SCHEMBL18528930 0.94 GSR (0.80) GSRARG2ARG1CPB2RNPEP
Lysine SCHEMBL20952564 0.94 GSR (0.80) GSRARG2ARG1CPB2RNPEP
Lysine SCHEMBL1425215 0.94 GSR (0.80) GSRARG2ARG1CPB2RNPEP
Lysine SCHEMBL1425217 0.94 GSR (0.80) GSRARG2ARG1CPB2RNPEP
Lysine SCHEMBL31679370 0.94 GSR (0.80) GSRARG2ARG1CPB2RNPEP

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-0938497-A1 CONSTRAINED HELICAL PEPTIDES AND METHODS OF MAKING SAME Genentech, Inc. (US) 1999-09-01 EP disclosed
WO-1998020036-A1 CONSTRAINED HELICAL PEPTIDES AND METHODS OF MAKING SAME GENENTECH, INC. (US) 1998-05-14 WO disclosed