Alanine

Alanine

SCHEMBL28537181

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

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 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
SCHEMBL13774332 0.89
SCHEMBL1581176 0.89
SCHEMBL164712 0.89
SCHEMBL16267280 0.87 MME (0.42) LMNAL3MBTL1MMEACECPA1
Acetic Acid SCHEMBL2164074 0.85 MME (0.41) LMNAL3MBTL1MMEACECPA1
3-Methylbutanoic Acid SCHEMBL2165073 0.80 MME (0.38) LMNAL3MBTL1MMEACECPA1
Alanine SCHEMBL27729429 0.79 ALDH1A1 (0.38) LMNAMMEACECPA1ACE2
SCHEMBL14895484 0.77 CYP2D6 (0.38) LMNAL3MBTL1MMEACECPA1
Levulinic Acid SCHEMBL2164392 0.77 LMNA (0.52) LMNAL3MBTL1MMEACECPA1
SCHEMBL19091099 0.76 MME (0.46) LMNAL3MBTL1MMEACECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112543821-A Method and system for producing carbon monoxide and hydrogen from a CO2 containing gas 塞彭公司 2021-03-23 CN claimed
CN-101600490-B For capturing CO from exhaust gases2Method (2) SINVENT AS 2013-11-06 CN claimed
CN-101600490-A For capturing CO from exhaust gases2Method (2) SINVENT AS (NO) 2009-12-09 CN claimed
CN-112543821-A Method and system for producing carbon monoxide and hydrogen from a CO2 containing gas 塞彭公司 2021-03-23 CN disclosed
CN-112533688-A Post combustion CO via heat recovery and integration2Capture 塞彭公司 2021-03-19 CN disclosed
CN-101600490-B For capturing CO from exhaust gases2Method (2) SINVENT AS 2013-11-06 CN disclosed
CN-101600490-A For capturing CO from exhaust gases2Method (2) SINVENT AS (NO) 2009-12-09 CN disclosed