Alanine

Alanine

SCHEMBL8845239

CC(C)[C@H](N)C(=O)OC[C@H](N)C(=O)O.C[C@H](N)C(=O)O

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.46
SLC1A3 P43003 4/20 0.42
SLC1A2 P43004 4/20 0.42
SLC1A1 P43005 3/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
SLC1A5 Q15758 1/20 0.39
IDO1 P14902 1/20 0.37
PTGS1 P23219 1/20 0.35
SLC7A11 Q9UPY5 1/20 0.35
GRIK1 P39086 4/20 0.35
GRIK2 Q13002 2/20 0.35
GRM1 Q13255 1/20 0.35
GRM2 Q14416 1/20 0.35
GRIA2 P42262 2/20 0.34
GRIA4 P48058 2/20 0.34
GRIK3 Q13003 2/20 0.34
GRIK5 Q16478 2/20 0.34
GRIA1 P42261 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
SCHEMBL6263387 0.96 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1NOS3
SCHEMBL1270314 0.84 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1NOS3
Glutamine SCHEMBL10496120 0.83 KMT2A (0.59) SLC7A5SLC1A3SLC1A2SLC1A1NOS3
SCHEMBL103942 0.82 SLC7A5 (0.43) SLC7A5SLC1A3SLC1A2SLC1A1NOS3
Threonine SCHEMBL7865132 0.81 PTGS1 (0.47) SLC7A5SLC1A3SLC1A2SLC1A1NOS3
SCHEMBL15361610 0.80 SLC7A5 (0.38) SLC7A5SLC1A3SLC1A2SLC1A1NOS3
Phenylalanine SCHEMBL4611578 0.80 SLC7A5 (0.63) SLC7A5SLC1A3SLC1A2SLC1A1NOS3
Valine SCHEMBL16348666 0.80 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1NOS3
SCHEMBL1537446 0.79 SLC1A3 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1NOS3
SCHEMBL9139648 0.79 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1NOS3

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
US-5597708-A GENETIC ENGINEERING; DNA SEQUENCES ENCODING PLASMODIUM PROTEIN BURROUGHS WELLCOME COMPANY (US) 1997-01-28 US disclosed
EP-0154454-B1 CLONING OF DNA FOR PROTOZOAL ANTIGENS THE WELLCOME FOUNDATION LIMITED (GB) 1991-07-03 EP disclosed
EP-0154454-A1 Cloning of DNA for protozoal antigens THE WELLCOME FOUNDATION LIMITED (GB) 1985-09-11 EP disclosed