Aspartic Acid

Aspartic Acid

SCHEMBL9575854

CCCCCCCCCCCCC[N+](O)(O)CC.CCCCCCCCCCCCC[N+](O)(O)CC.NC(CC(=O)[O-])C(=O)[O-]

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC6A2SLC6A3SSTR1SSTR2SSTR3SSTR5

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
SLC25A20 O43772 3/20 0.38
TP53 P04637 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
CPT2 P23786 2/20 0.38
CPT1A P50416 2/20 0.38
CPT1B Q92523 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
CA2 P00918 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
Tetrabuthylammonium SCHEMBL9008776 0.83 SLC22A1 (0.43) CPT2CPT1ACPT1B
Tetrabuthylammonium SCHEMBL9008771 0.83 SLC22A1 (0.43) CPT2CPT1ACPT1B
Cysteine SCHEMBL9575898 0.79 FABP3 (0.43) TP53KDM4EMEN1CYP3A4CYP2C19
Aspartic Acid SCHEMBL9575855 0.78 CA1 (0.44) SLC25A20TP53CYP2D6TSHRCPT2
Tetrylammonium SCHEMBL7592551 0.76 CPT2 (0.44) TSHRCPT2CPT1AKDM4EMEN1
Tetrylammonium SCHEMBL7592547 0.76 CPT2 (0.44) TSHRCPT2CPT1AKDM4EMEN1
SCHEMBL9575954 0.75 SLC22A1 (0.55) TP53TSHRCYP3A4KMT2AHIF1A
SCHEMBL8558471 0.75 SLC22A1 (0.55) TP53TSHRCYP3A4KMT2AHIF1A
Aspartic Acid SCHEMBL3135420 0.75 CA4 (0.48) CPT2CPT1ACA2
SCHEMBL3802276 0.75 SLC22A1 (0.55) TP53TSHRCYP3A4KMT2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371406-B1 OXYALKYLATED QUATERNARY AMMONIUM COMPOUNDS, PROCESSES FOR PRODUCTION THEREOF, AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING SAID COMPOUNDS DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1993-08-04 EP disclosed
US-5076828-A Immersing seeds into quaternary solution prior to planting DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1991-12-31 US disclosed
EP-0371406-A1 Oxyalkylated quaternary ammonium compounds, processes for production thereof, and plant growth regulating compositions containing said compounds DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1990-06-06 EP disclosed