Aspartic Acid

Aspartic Acid

SCHEMBL15670472

N[C@@H](CC(=O)O)C(=O)O.Oc1ccco1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

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 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 2/20 0.41
SLC7A5 Q01650 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN7 P35236 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR2 Q92731 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALPI P09923 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC1A3 P43003 4/20 0.40
SLC1A2 P43004 4/20 0.40
SLC1A1 P43005 4/20 0.40

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 SCHEMBL15670468 1.00 MIF (0.43) MIFKDM4EHIF1ATDP1PKM
Asparagine SCHEMBL15670521 0.89 CYP2C19 (0.50) KDM4EHIF1ATDP1PKMSLC7A5
Asparagine SCHEMBL15670518 0.89 CYP2C19 (0.50) KDM4EHIF1ATDP1PKMSLC7A5
Cysteine SCHEMBL15670419 0.85 PTGS1 (0.55) KDM4EHIF1ATDP1PKMSLC7A5
Cysteine SCHEMBL15670416 0.85 PTGS1 (0.55) KDM4EHIF1ATDP1PKMSLC7A5
Serine SCHEMBL15670511 0.85 SLC7A5 (0.42) KDM4EHIF1ATDP1PKMSLC7A5
Serine SCHEMBL15670508 0.85 SLC7A5 (0.42) KDM4EHIF1ATDP1PKMSLC7A5
Glutamic Acid SCHEMBL15670946 0.84 SLC1A3 (0.56) PKMSLC7A5POLBPTPN1PTPN7
Leucine SCHEMBL15670430 0.84 SLC7A5 (0.56) PKMSLC7A5POLBPTPN1PTPN7
D-Glutamate SCHEMBL15670944 0.84 SLC1A3 (0.56) PKMSLC7A5POLBPTPN1PTPN7

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-2914132-A1 FLAVOUR ADDITIVES Mars, Incorporated (US) 2015-09-09 EP disclosed
WO-2014068045-A1 FLAVOUR ADDITIVES MARS, INCORPORATED (US) 2014-05-08 WO disclosed