Phenylalanine

Phenylalanine

SCHEMBL5503585

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

nearest known ligand 0.49

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 0.48
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
MMP2 P08253 1/20 0.46
ANPEP P15144 2/20 0.46
RNPEP Q9H4A4 2/20 0.46
DNPEP Q9ULA0 2/20 0.46
THRB P10828 1/20 0.45
GSR P00390 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
LTA4H P09960 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
OPRK1 P41145 1/20 0.41
FNTA P49354 3/20 0.40
FNTB P49356 3/20 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 SCHEMBL27473663 0.94 ALPI (0.44) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL22207662 0.92 SLC7A5 (0.56) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL8674476 0.92 SLC7A5 (0.56) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL9295527 0.91 SLC7A5 (0.55) ALPIPKMPTGS1XIAPSLC7A5
D-Phenylalanine SCHEMBL6450960 0.91 SLC7A5 (0.58) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL3691104 0.91 SLC7A5 (0.58) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL907512 0.91 SLC7A5 (0.58) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL723829 0.91 SLC7A5 (0.58) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL9541187 0.91 SLC7A5 (0.58) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL15323398 0.91 SLC7A5 (0.58) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1811979-A2 MICROCAPSULES COMPRISING A METHYLXANTHINE AND A CORTICOSTEROID Sigmoid Biotechnologies Limited (IE) 2007-08-01 EP disclosed
EP-1802287-A2 MINICAPSULE FORMULATIONS Sigmoid Biotechnologies Limited (IE) 2007-07-04 EP disclosed
WO-2006035418-A2 MICROCAPSULES COMPRISING A METHYLXANTHINE AND A CORTICOSTEROID SIGMOID BIOTECHNOLOGIES LIMITED (IE) 2006-04-06 WO disclosed
WO-2006035416-A2 MINICAPSULE FORMULATIONS SIGMOID BIOTECHNOLOGIES LIMITED (IE) 2006-04-06 WO disclosed