Alanine

Alanine

SCHEMBL30296992

C[C@H](N)C(=O)O.N[C@@H](CNS(=O)(=O)O)C(=O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.42
PMP22 Q01453 1/20 0.40
CASR P41180 7/20 0.40
SLC1A3 P43003 3/20 0.38
SLC1A2 P43004 3/20 0.38
SLC1A1 P43005 3/20 0.38
GFPT1 Q06210 1/20 0.38
PTGS1 P23219 1/20 0.35
SLC7A11 Q9UPY5 1/20 0.35
GCLC P48506 1/20 0.35

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
SCHEMBL1823399 0.92 PTGS1 (0.41) SLC7A5PMP22CASRSLC1A3SLC1A2
SCHEMBL28961753 0.92 PTGS1 (0.41) SLC7A5PMP22CASRSLC1A3SLC1A2
SCHEMBL27888955 0.78 SLC7A5 (0.43) SLC7A5PMP22SLC1A3SLC1A2SLC1A1
SCHEMBL13584710 0.78 SLC7A5 (0.43) SLC7A5PMP22SLC1A3SLC1A2SLC1A1
SCHEMBL8441116 0.78 PMP22 (0.48) SLC7A5PMP22CASRSLC1A3SLC1A2
SCHEMBL8441119 0.78 PMP22 (0.48) SLC7A5PMP22CASRSLC1A3SLC1A2
SCHEMBL31688971 0.78 PMP22 (0.48) SLC7A5PMP22CASRSLC1A3SLC1A2
SCHEMBL1769366 0.77 CA12 (0.50) SLC7A5PMP22SLC1A3SLC1A2SLC1A1
SCHEMBL1769363 0.77 CA12 (0.50) SLC7A5PMP22SLC1A3SLC1A2SLC1A1
Alanine SCHEMBL17874433 0.76 SLC7A5 (0.46) SLC7A5PMP22SLC1A3SLC1A2SLC1A1

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-115754300-A Plasma metabolism markers for predicting non-proliferative DR occurrence risk, application thereof and construction method of scoring model 深圳市人民医院 2023-03-07 CN disclosed