Threonine

Threonine

SCHEMBL15323701

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

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.43
SLC1A3 P43003 4/20 0.36
SLC1A2 P43004 4/20 0.36
MME P08473 2/20 0.35
FOLH1 Q04609 1/20 0.34
LAP3 P28838 3/20 0.33
ANPEP P15144 2/20 0.32
RNPEP Q9H4A4 2/20 0.32
DNPEP Q9ULA0 1/20 0.32
SLC1A1 P43005 4/20 0.32
LTA4H P09960 1/20 0.31
LARS1 Q9P2J5 1/20 0.31

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
SCHEMBL891923 0.85 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2LAP3ANPEP
Leucine SCHEMBL891924 0.76 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2LAP3RNPEP
Leucine SCHEMBL891921 0.76 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2LAP3RNPEP
SCHEMBL288383 0.76 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL18050156 0.76 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL6038226 0.76 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1
Threonine SCHEMBL4493263 0.76 PTGS1 (0.42) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL20898389 0.75 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2LAP3ANPEP
Leucine SCHEMBL15323703 0.74 SLC7A5 (0.72) SLC7A5SLC1A3SLC1A2LAP3RNPEP
Leucine SCHEMBL15323699 0.74 SLC7A5 (0.72) SLC7A5SLC1A3SLC1A2LAP3RNPEP

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-2836832-A1 EARLY TRIMESTER SCREENING FOR EARLY- AND LATE-ONSET PREECLAMPSIA Wayne State University (US) 2015-02-18 EP disclosed
WO-2013155458-A1 EARLY TRIMESTER SCREENING FOR EARLY- AND LATE-ONSET PREECLAMPSIA WAYNE STATE UNIVERSITY (US) 2013-10-17 WO disclosed