Aspartic Acid

Aspartic Acid

SCHEMBL5885290

C[C@@H](N)Cc1c[nH]c(C(=O)O)n1.N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.35

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
SLC7A5 Q01650 3/20 0.35
CYP3A4 P08684 2/20 0.35
GRIK1 P39086 6/20 0.34
GRIA2 P42262 4/20 0.34
GRIA4 P48058 4/20 0.34
GRIA1 P42261 4/20 0.34
GRIK2 Q13002 3/20 0.34
GRIK3 Q13003 2/20 0.34
GRIK5 Q16478 2/20 0.34
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MPO P05164 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL7866907 0.89 HRH4 (0.35) SLC7A5CYP3A4CYP1A2LMNABLM
Cysteine SCHEMBL2769343 0.87 PTGS1 (0.42) SLC7A5CYP3A4GRIA2GRIA4GRIA1
Phenylalanine SCHEMBL1701460 0.84 SLC7A5 (0.54) SLC7A5CYP1A2KDM4ELMNAMAPT
SCHEMBL9717841 0.75 CYP1A2 (0.43) SLC7A5CYP3A4GRIK1GRIA2GRIA4
SCHEMBL9717852 0.75 CYP1A2 (0.43) SLC7A5CYP3A4GRIK1GRIA2GRIA4
SCHEMBL11039378 0.74 CASR (0.32) BLMNPSR1
SCHEMBL31370049 0.73 CYP1A2 (0.46) SLC7A5CYP3A4GRIK1GRIA2GRIA4
SCHEMBL25354296 0.72 CYP1A2 (0.43) SLC7A5CYP3A4GRIK1GRIA2GRIA4
SCHEMBL25354300 0.72 CYP1A2 (0.43) SLC7A5CYP3A4GRIK1GRIA2GRIA4
SCHEMBL25354020 0.71 SLC7A5 (0.44) SLC7A5CYP3A4GRIA2GRIA4GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7029888-B2 Modified synthetases to produce penicillins and cephalosporins under the control of bicarbonate BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2006-04-18 US disclosed
US-7029888-B2 Modified synthetases to produce penicillins and cephalosporins under the control of bicarbonate BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2006-04-18 US disclosed
US-20020127633-A1 Modified synthetases to produce penicillins and cephalosporins under the control of bicarbonate BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 2002-09-12 US disclosed
US-20020127633-A1 Modified synthetases to produce penicillins and cephalosporins under the control of bicarbonate BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 2002-09-12 US disclosed
US-6284483-B1 ACTIVATION OF MUTANT ISOPENICILLIN N SYNTHETASE TO CONVERT (A-AMINOADIPYL)-L-CYSTEINE-D-VALINE TO ISOPENICILLIN N; ISOLATING PENICILLIN G OR V BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2001-09-04 US disclosed
US-6284483-B1 ACTIVATION OF MUTANT ISOPENICILLIN N SYNTHETASE TO CONVERT (A-AMINOADIPYL)-L-CYSTEINE-D-VALINE TO ISOPENICILLIN N; ISOLATING PENICILLIN G OR V BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2001-09-04 US disclosed