SCHEMBL29112233

SCHEMBL29112233

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nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.47
SLC1A3 P43003 3/20 0.39
SLC1A2 P43004 3/20 0.39
CACNA2D1 P54289 2/20 0.39
CACNB3 P54284 1/20 0.39
CACNA1C Q13936 1/20 0.39
PGR P06401 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
CACNA2D2 Q9NY47 1/20 0.39
RNPEP Q9H4A4 4/20 0.38
ANPEP P15144 3/20 0.38
DNPEP Q9ULA0 2/20 0.38
SLC1A1 P43005 2/20 0.37
BHMT Q93088 1/20 0.33
LTA4H P09960 1/20 0.33
MME P08473 2/20 0.32
GRIK1 P39086 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL29112238 1.00 SLC7A5 (0.47) SLC7A5SLC1A3SLC1A2CACNA2D1CACNB3
SCHEMBL5551900 0.89 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2RNPEPANPEP
SCHEMBL28786054 0.85 ANPEP (0.55) SLC7A5SLC1A3SLC1A2RNPEPANPEP
SCHEMBL28786062 0.85 ANPEP (0.55) SLC7A5SLC1A3SLC1A2RNPEPANPEP
SCHEMBL3056494 0.83 SLC7A5 (0.57) SLC7A5SLC1A3SLC1A2CACNA2D1CACNB3
SCHEMBL3381469 0.81 SLC1A2 (0.46) SLC7A5SLC1A3SLC1A2RNPEPANPEP
SCHEMBL9787711 0.80 SLC7A5 (0.40) SLC7A5SLC1A3SLC1A2CACNA2D1CACNB3
SCHEMBL21049239 0.80 SLC7A5 (0.42) SLC7A5SLC1A3SLC1A2RNPEPANPEP
SCHEMBL434312 0.77 TDP1 (0.37) SLC1A3SLC1A2SLC1A1BHMTGRIK1
SCHEMBL5161294 0.75 CYP1A2 (0.43) SLC1A3SLC1A2ANPEPSLC1A1BHMT

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
CN-116926141-A Method for synthesizing acetylated amino acid and oligopeptide by catalyzing food-grade enzyme preparation 华南理工大学 2023-10-24 CN disclosed