Aspartic Acid

Aspartic Acid

SCHEMBL28181767

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

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

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 18)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.40
OTC P00480 1/20 0.40
PTGS1 P23219 1/20 0.39
GSTK1 Q9Y2Q3 1/20 0.39
DDAH1 O94760 1/20 0.38
NOD1 Q9Y239 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
NPY4R P50391 6/20 0.35
NPY1R P25929 5/20 0.35
NPY2R P49146 4/20 0.35
NPY5R Q15761 4/20 0.35
RRM1 P23921 1/20 0.35
GLO1 Q04760 1/20 0.34

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
SCHEMBL2117673 0.92 DPP7 (0.46) DPP7OTCPTGS1GSTK1DDAH1
SCHEMBL29476574 0.92 DPP7 (0.46) DPP7OTCPTGS1GSTK1DDAH1
SCHEMBL2117664 0.92 DPP7 (0.46) DPP7OTCPTGS1GSTK1DDAH1
Arginine SCHEMBL150229 0.89 OTC (0.49) OTCDDAH1NOS3NOS1NOS2
Arginine SCHEMBL248897 0.89 OTC (0.49) OTCDDAH1NOS3NOS1NOS2
Arginine SCHEMBL27692295 0.89 OTC (0.49) OTCDDAH1NOS3NOS1NOS2
Arginine SCHEMBL150228 0.89 OTC (0.49) OTCDDAH1NOS3NOS1NOS2
Arginine SCHEMBL27530824 0.89 OTC (0.49) OTCDDAH1NOS3NOS1NOS2
SCHEMBL30259956 0.87 DPP7 (0.49) DPP7OTCPTGS1GSTK1NOD1
Arginine SCHEMBL8047291 0.87 OTC (0.48) OTCDDAH1NOS3NOS1NOS2

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
CN-107207564-A Target XTEN conjugate compositions and preparation method thereof 阿穆尼克斯运营公司 2017-09-26 CN disclosed