D,L-Threo-3-Hydroxyaspartic Acid

D,L-Threo-3-Hydroxyaspartic Acid

SCHEMBL7706201

C=CNCC(=O)O.NC(C(=O)O)C(O)C(=O)O

nearest known ligand 0.32

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC7A5 Q01650 1/20 0.30
GRIK1 P39086 2/20 0.30
GRIK2 Q13002 2/20 0.30

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
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL7706205 1.00 TSHR (0.32) TSHRUSP2SLC6A2SLC6A4BLM
SCHEMBL165599 0.78
SCHEMBL8902693 0.76 CYP2D6 (0.41) TSHRSLC6A2SLC6A4BLMSLC6A3
Hydrochloric Acid SCHEMBL791648 0.76
Glycine SCHEMBL3706934 0.74 GLRA1 (0.48) TSHRSLC6A2SLC6A4BLMSLC6A3
Ammonia Solution, Strong SCHEMBL28014704 0.74
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL2553076 0.73 TSHR (0.56) TSHRUSP2BLMSLCO1B1MEN1
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL1130719 0.73 TSHR (0.56) TSHRUSP2BLMSLCO1B1MEN1
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL336363 0.73 TSHR (0.56) TSHRUSP2BLMSLCO1B1MEN1
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL5019049 0.73 TSHR (0.56) TSHRUSP2BLMSLCO1B1MEN1

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
US-6429288-B1 OSTEOPOROSIS, OSTEOARTHRITIS, AND RHEUMATIC DISEASES ROCHE DIAGNOSTICS GMBH (DE) 2002-08-06 US disclosed