Alanine

Alanine

SCHEMBL4854834

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

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.50
SLC7A5 Q01650 2/20 0.44
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC1A3 P43003 4/20 0.41
SLC1A2 P43004 4/20 0.41
SLC1A1 P43005 4/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
GSR P00390 1/20 0.41

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 SCHEMBL20188174 1.00 GABRR1 (0.50) GABRR1SLC7A5CHRM1AKR1A1CHRM3
Alanine SCHEMBL22616405 0.88
Alanine SCHEMBL6468817 0.88 SLC7A5 (0.48) GABRR1SLC7A5CHRM1AKR1A1CHRM3
Alanine SCHEMBL4853752 0.88
Alanine SCHEMBL11876922 0.88 SLC7A5 (0.48) GABRR1SLC7A5CHRM1AKR1A1CHRM3
Alanine SCHEMBL20740651 0.88 GABRR1 (0.55) GABRR1SLC7A5SLC1A3SLC1A2SLC1A1
D-Alanine SCHEMBL28148207 0.87 GSR (0.46) GABRR1SLC1A3SLC1A2SLC1A1GRIK1
Alanine SCHEMBL27624409 0.87 GSR (0.46) GABRR1SLC1A3SLC1A2SLC1A1GRIK1
Alanine SCHEMBL28824467 0.86 SLC7A5 (0.46) GABRR1SLC7A5CHRM1AKR1A1CHRM3
Alanine SCHEMBL28824465 0.86 SLC7A5 (0.46) GABRR1SLC7A5CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928504-A1 PROTEIN-POLYMER-DRUG CONJUGATES Mersana Therapeutics, Inc. (US) 2015-10-14 EP disclosed
WO-2014093394-A1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. (US) 2014-06-19 WO disclosed
EP-2717916-A1 PROTEIN-POLYMER-DRUG CONJUGATES Mersana Therapeutics, Inc. (US) 2014-04-16 EP disclosed
WO-2012171020-A1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. (US) 2012-12-13 WO disclosed
US-7452701-B2 Methods for the preparation of β-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-11-18 US disclosed
US-20030113882-A1 Methods for the preparation of beta-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-06-19 US disclosed