Aspartic Acid

Aspartic Acid

SCHEMBL5692189

NCC(=O)O.N[C@@H](CC(=O)O)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.41

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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 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 5/20 0.37
GRIK2 Q13002 1/20 0.37
NOS2 P35228 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
ALDH1A1 P00352 1/20 0.34
DPP4 P27487 3/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIK3 Q13003 1/20 0.33
GRIK5 Q16478 1/20 0.33
GLI1 P08151 1/20 0.33
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33

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 SCHEMBL29222914 1.00 GRIK1 (0.37) GRIK1GRIK2NOS2NOS3NOS1
Aspartic Acid SCHEMBL1680031 0.95 GRIK1 (0.40) GRIK1GRIK2NOS2NOS3NOS1
Aspartic Acid SCHEMBL22436907 0.95 GRIK1 (0.40) GRIK1GRIK2NOS2NOS3NOS1
Aspartic Acid SCHEMBL537633 0.95 GRIK1 (0.40) GRIK1GRIK2NOS2NOS3NOS1
Asparagine SCHEMBL4607285 0.92 NOS2 (0.37) GRIK1GRIK2NOS2NOS3NOS1
Asparagine SCHEMBL4404357 0.92 NOS2 (0.37) GRIK1GRIK2NOS2NOS3NOS1
Glutamine SCHEMBL3442669 0.90 ALOX15 (0.45) GRIK1GRIK2NOS2NOS3NOS1
Aspartic Acid SCHEMBL27659271 0.90 GRIK1 (0.36) GRIK1GRIK2NOS2NOS3NOS1
Aspartic Acid SCHEMBL3432993 0.90 GRIK1 (0.36) GRIK1GRIK2NOS2NOS3NOS1
Proline SCHEMBL181143 0.88 NOS2 (0.35) GRIK1GRIK2NOS2NOS3NOS1

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
CN-115466305-A Almond small molecule peptide for inhibiting activity of alpha-glucosidase and application thereof 重庆三峡学院 2022-12-13 CN disclosed
EP-0904410-B1 IDENTIFICATION OF PYRAZINAMIDE-RESISTANT MYCOBACTERIA AND METHODS FOR TREATING MYCOBACTERIAL INFECTIONS UNIV JOHNS HOPKINS (US) 2006-05-17 EP disclosed
EP-0904410-A4 IDENTIFICATION OF PYRAZINAMIDE-RESISTANT MYCOBACTERIA AND METHODS FOR TREATING MYCOBACTERIAL INFECTIONS UNIV JOHNS HOPKINS (US) 2003-04-09 EP disclosed
EP-0904410-A1 IDENTIFICATION OF PYRAZINAMIDE-RESISTANT MYCOBACTERIA AND METHODS FOR TREATING MYCOBACTERIAL INFECTIONS THE JOHNS HOPKINS UNIVERSITY (US) 1999-03-31 EP disclosed
US-5846718-A Identification of pyrazinamide-resistant mycobacteria and methods for treating mycobacterial infections THE JOHNS HOPKINS UNIVERSITY (US) 1998-12-08 US disclosed
WO-1997045558-A1 IDENTIFICATION OF PYRAZINAMIDE-RESISTANT MYCOBACTERIA AND METHODS FOR TREATING MYCOBACTERIAL INFECTIONS THE JOHNS HOPKINS UNIVERSITY (US) 1997-12-04 WO disclosed