Alanine

Alanine

SCHEMBL18770348

CC(N)C(=O)O.NC(Cc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.61
PTGS1 P23219 3/20 0.59
ALPI P09923 1/20 0.59
PKM P14618 1/20 0.59
XIAP P98170 1/20 0.59
PTPRC P08575 1/20 0.53
HIF1A Q16665 4/20 0.51
ALOX15 P16050 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
USP2 O75604 1/20 0.51
EGFR P00533 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
HTR2A P28223 1/20 0.51
PTGS2 P35354 1/20 0.51
RECQL P46063 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TPH1 P17752 1/20 0.51

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 SCHEMBL18770349 1.00 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL244718 0.93 SLC7A5 (0.69) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL44832 0.93 SLC7A5 (0.69) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL44831 0.93 SLC7A5 (0.69) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL27515070 0.91 SLC7A5 (0.67) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL5878327 0.91 SLC7A5 (0.67) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL975336 0.91 SLC7A5 (0.67) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL31370558 0.88 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL9937710 0.84 SLC7A5 (0.86) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL20703797 0.84 SLC7A5 (0.86) SLC7A5PTGS1ALPIPKMXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365353-A1 INTEGRIN BINDING PEPTIDES AND USES THEREOF Universiteit Twente (NL) 2018-08-29 EP disclosed
WO-2017069627-A1 INTEGRIN BINDING PEPTIDES AND USES THEREOF UNIVERSITEIT TWENTE (NL) 2017-04-27 WO disclosed