Alanine

Alanine

SCHEMBL28224348

CC(N)C(=O)O.CCCCCCCCCCCCN1C=CN(C)C1

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.40
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 3/20 0.38
SPHK1 Q9NYA1 1/20 0.38
FFAR1 O14842 1/20 0.38
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
SLC1A3 P43003 1/20 0.37
MAPT P10636 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
RRM1 P23921 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 1/20 0.34

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 SCHEMBL28979847 1.00 SLC15A1 (0.40) SLC15A1GRIK1GRIK2ACE2GPR84
Alanine SCHEMBL30335689 1.00 SLC15A1 (0.40) SLC15A1GRIK1GRIK2ACE2GPR84
Alanine SCHEMBL27893492 0.94 SLC15A1 (0.41) SLC15A1GRIK1GRIK2ACE2GPR84
Alanine SCHEMBL29898525 0.94 SLC15A1 (0.41) SLC15A1GRIK1GRIK2ACE2GPR84
Alanine SCHEMBL28426655 0.91 SLC15A1 (0.40) SLC15A1GRIK1GRIK2ACE2GPR84
Valine SCHEMBL27945616 0.90 SLC7A5 (0.41) SLC15A1GRIK1GRIK2ACE2GPR84
Lactic Acid SCHEMBL27678274 0.90 GPR84 (0.42) ACE2GPR84SPHK1FFAR1MAPT
Lactic Acid SCHEMBL28055763 0.90 GPR84 (0.42) ACE2GPR84SPHK1FFAR1MAPT
Lactic Acid SCHEMBL27678270 0.90 GPR84 (0.42) ACE2GPR84SPHK1FFAR1MAPT
Lactic Acid SCHEMBL28281210 0.90 GPR84 (0.42) ACE2GPR84SPHK1FFAR1MAPT

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-104803963-B A kind of method that lysotropic liquid crystal extraction and separation prepare high content mixed tocopherol 浙江大学 2018-07-06 CN disclosed