Alanine

Alanine

SCHEMBL28052861

C=COC(C)=O.CC(N)C(=O)O

nearest known ligand 0.36

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.36
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 0.32
TSHR P16473 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 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
SCHEMBL27276142 0.86 TSHR (0.35) TSHRTP53ALDH1A1
Valine SCHEMBL28052863 0.86 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2SLC1A1
Valine SCHEMBL7576256 0.86 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2SLC1A1
Ethylene SCHEMBL27911798 0.84 TSHR (0.33) TSHRTP53ALDH1A1
Lactic Acid SCHEMBL547542 0.84 TP53 (0.50) TSHRTP53ALDH1A1
Hydrogen Peroxide SCHEMBL27786199 0.83
SCHEMBL27261722 0.83 TSHR (0.37) TSHRTP53ALDH1A1
Lactic Acid SCHEMBL27925311 0.83 TP53 (0.48) TSHRTP53ALDH1A1
Carbamic Acid SCHEMBL27553833 0.81 ACHE (0.37) TSHRALDH1A1
Acetic Acid SCHEMBL11358887 0.81 FFAR3 (0.41) TSHRALDH1A1

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
CN-105349609-A Method for improving chiral resolution performance of lipase on amino-acid ester in organic phase UNIV ZHEJIANG SCIENCE & TECH 2016-02-24 CN claimed
CN-105349609-A Method for improving chiral resolution performance of lipase on amino-acid ester in organic phase UNIV ZHEJIANG SCIENCE & TECH 2016-02-24 CN disclosed