Alanine

Alanine

SCHEMBL8200266

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

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of Alanine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.42
TP53 P04637 1/20 0.41
PMP22 Q01453 1/20 0.40
GCLC P48506 1/20 0.38
ENPEP Q07075 3/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
LTA4H P09960 1/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37

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 SCHEMBL2592623 0.86 SLC7A5 (0.48) SLC7A5TP53PMP22SLC1A3SLC1A2
Alanine SCHEMBL27873237 0.86 SLC7A5 (0.48) SLC7A5TP53PMP22SLC1A3SLC1A2
Alanine SCHEMBL2592625 0.86 SLC7A5 (0.48) SLC7A5TP53PMP22SLC1A3SLC1A2
Alanine SCHEMBL31150674 0.86 SLC7A5 (0.48) SLC7A5TP53PMP22SLC1A3SLC1A2
Alanine SCHEMBL17874433 0.83 SLC7A5 (0.46) SLC7A5TP53PMP22SLC1A3SLC1A2
Alanine SCHEMBL27282765 0.83 SLC7A5 (0.46) SLC7A5TP53PMP22SLC1A3SLC1A2
Alanine SCHEMBL17874434 0.83 SLC7A5 (0.46) SLC7A5TP53PMP22SLC1A3SLC1A2
Alanine SCHEMBL28212270 0.83 CA1 (0.47) SLC7A5TP53PMP22SLC1A3SLC1A2
Valine SCHEMBL28668412 0.83 SLC7A5 (0.68) SLC7A5TP53PMP22GCLCENPEP
Valine SCHEMBL29084738 0.83 SLC7A5 (0.68) SLC7A5TP53PMP22GCLCENPEP

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
US-6140123-A PREPARING TISSUES FOR STORAGE IN FREEZING CONDITIONS; SUSPENSION OF TISSUE IN AND FREEZING CEDARS-SINAI MEDICAL CENTER (US) 2000-10-31 US disclosed