Alanine

Alanine

SCHEMBL9937848

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

nearest known ligand 0.53

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.53
ARG2 P78540 1/20 0.53
NOS2 P35228 3/20 0.52
NOS1 P29475 2/20 0.52
NOS3 P29474 1/20 0.52
SLC7A5 Q01650 1/20 0.50
BHMT Q93088 2/20 0.47
BHMT2 Q9H2M3 1/20 0.47
SLC1A3 P43003 4/20 0.45
SLC1A2 P43004 4/20 0.45
SLC1A1 P43005 3/20 0.45
KIF11 P52732 5/20 0.43
PTGS1 P23219 1/20 0.42
SLC7A11 Q9UPY5 1/20 0.42
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40

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 SCHEMBL9937851 1.00 ARG1 (0.53) ARG1ARG2NOS2NOS1NOS3
Alanine SCHEMBL9937853 1.00 ARG1 (0.53) ARG1ARG2NOS2NOS1NOS3
SCHEMBL36934 0.90 ARG1 (0.61) ARG1ARG2NOS2NOS1NOS3
SCHEMBL29393779 0.90 ARG1 (0.61) ARG1ARG2NOS2NOS1NOS3
SCHEMBL36935 0.90 ARG1 (0.61) ARG1ARG2NOS2NOS1NOS3
SCHEMBL29378137 0.90 ARG1 (0.61) ARG1ARG2NOS2NOS1NOS3
SCHEMBL36933 0.90 ARG1 (0.61) ARG1ARG2NOS2NOS1NOS3
SCHEMBL23085771 0.88 SLC7A5 (0.54) ARG1ARG2NOS2NOS1NOS3
SCHEMBL2128359 0.88 SLC7A5 (0.54) ARG1ARG2NOS2NOS1NOS3
Hydrogen Sulfide SCHEMBL5666458 0.87 ARG1 (0.59) ARG1ARG2NOS2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651382-A1 METHOD FOR PERMANENT RESHAPING AND IN PARTICULAR FOR STRAIGHTENING, COMPRISING A STAGE OF STRAIGHTENING KERATINOUS FIBRES EMPLOYING A COMPOSITION COMPRISING AT LEAST 40% BY WEIGHT OF NON-SILICONE FATTY SUBSTANCES L'Oréal (FR) 2013-10-23 EP disclosed
WO-2012080231-A1 METHOD FOR PERMANENT RESHAPING AND IN PARTICULAR FOR STRAIGHTENING, COMPRISING A STAGE OF STRAIGHTENING KERATINOUS FIBRES EMPLOYING A COMPOSITION COMPRISING AT LEAST 40% BY WEIGHT OF NON-SILICONE FATTY SUBSTANCES L'OREAL (FR) 2012-06-21 WO disclosed
CN-102123723-A Glucagon/GLP-1 receptor co-agonists UNIV INDIANA RES & TECH CORP 2011-07-13 CN disclosed