Alanine

Alanine

SCHEMBL28317985

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

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
ALOX15 P16050 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
SLC7A5 Q01650 2/20 0.50
TP53 P04637 1/20 0.44
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 1/20 0.39
LTA4H P09960 1/20 0.38
GABRP O00591 4/20 0.38
GABRD O14764 4/20 0.38
GABRA1 P14867 4/20 0.38
GABRB1 P18505 4/20 0.38
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA5 P31644 4/20 0.38
GABRA3 P34903 4/20 0.38
GABRA2 P47869 4/20 0.38
GABRB2 P47870 4/20 0.38

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
Alanine SCHEMBL17873222 1.00 LMNA (0.53) LMNAALOX15BLMPMP22SLC7A5
Alanine SCHEMBL9018448 0.97 LMNA (0.50) LMNAALOX15BLMPMP22SLC7A5
Alanine SCHEMBL17873220 0.97 LMNA (0.50) LMNAALOX15BLMPMP22SLC7A5
Alanine SCHEMBL6160098 0.90 SLC7A5 (0.53) SLC7A5TP53SLC1A3SLC1A2SLC1A1
D-Alanine SCHEMBL31494467 0.90 SLC7A5 (0.53) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Alanine SCHEMBL468681 0.90 SLC7A5 (0.53) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Alanine SCHEMBL28538824 0.90 SLC7A5 (0.53) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Alanine SCHEMBL468682 0.90 SLC7A5 (0.53) SLC7A5TP53SLC1A3SLC1A2SLC1A1
D-Alanine SCHEMBL1314451 0.90 SLC7A5 (0.53) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Alanine SCHEMBL6160093 0.90 SLC7A5 (0.53) SLC7A5TP53SLC1A3SLC1A2SLC1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110255828-A Purposes and its device of the furfural waste-water as denitration carbon source 仇一斐 2019-09-20 CN claimed
CN-110293119-B Amino acid ionic liquid and preparation method and application thereof 河北科技大学 2021-04-27 CN disclosed
CN-110293119-A A kind of amino acid ion liquid and its preparation method and application 河北科技大学 2019-10-01 CN disclosed
CN-110255828-A Purposes and its device of the furfural waste-water as denitration carbon source 仇一斐 2019-09-20 CN disclosed