Phenylalanine

Phenylalanine

SCHEMBL9714683

CC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Phenylalanine. 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
PTGS1 known ✓ P23219 1/20 0.51
SLC7A5 Q01650 2/20 0.51
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
XIAP P98170 1/20 0.51
MMP2 P08253 1/20 0.48
GSR P00390 1/20 0.47
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
THRB P10828 1/20 0.45
ANPEP P15144 1/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
ERAP2 Q6P179 1/20 0.42
LNPEP Q9UIQ6 1/20 0.42
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
LTA4H P09960 2/20 0.41
SLC15A1 P46059 1/20 0.40

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
Dl-Phenylalanine SCHEMBL28079151 0.94 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL28416148 0.91 SLC7A5 (0.49) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL20586939 0.90 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL1921945 0.90 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL1921946 0.90 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL25221364 0.89 SLC7A5 (0.65) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL29187408 0.89 SLC7A5 (0.65) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL3075844 0.89 SLC7A5 (0.65) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL29137448 0.88 SLC7A5 (0.51) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL7050181 0.88 SLC7A5 (0.51) SLC7A5ALPIPKMPTGS1XIAP

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
WO-1992018644-A1 METHOD FOR DETECTING ANTIBODIES TO A NEUROBLASTOMA ANTIGEN IN MENTAL ILLNESS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1992-10-29 WO disclosed