Phenylalanine

Phenylalanine

SCHEMBL4287099

CSCC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.41

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 15)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.37
KMT2A Q03164 1/20 0.37
GHSR Q92847 1/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
MMP2 P08253 1/20 0.37
CTSC P53634 1/20 0.36
THRB P10828 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33

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
Phenylalanine SCHEMBL7006272 0.90 OPRK1 (0.39) KMT2AGHSRALPIPKMPTGS1
Phenylalanine SCHEMBL1836984 0.89 OPRK1 (0.39) KMT2AGHSRALPIPKMPTGS1
Phenylalanine SCHEMBL3099767 0.88 ALPI (0.48) GHSRALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL21878868 0.88 ALPI (0.48) GHSRALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL1675279 0.88 ALPI (0.48) GHSRALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL28033410 0.87 ALPI (0.43) GHSRALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL15901818 0.87 SLC7A5 (0.49) KMT2AALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL29067183 0.86 GHSR (0.39) GHSRALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL28078389 0.86 KMT2A (0.36) KMT2AGHSRALPIPKMPTGS1
Phenylalanine SCHEMBL6255424 0.85 GHSR (0.37) GHSRALPIPKMPTGS1XIAP

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
US-8470523-B2 Method for detecting intracellular interaction between biomolecules CIS BIO INTERNATIONAL (FR) 2013-06-25 US disclosed
US-20090215106-A1 METHOD FOR DETECTING INTRACELLULAR INTERACTION BETWEEN BIOMOLECULES CIS BIO INTERNATIONAL (FR) 2009-08-27 US disclosed
EP-1929294-A2 METHOD FOR DETECTING INTRACELLULAR INTERACTION BETWEEN BIOMOLECULES CIS BIO INTERNATIONAL (FR) 2008-06-11 EP disclosed
WO-2007028921-A2 METHOD FOR DETECTING INTRACELLULAR INTERACTION BETWEEN BIOMOLECULES CIS BIO INTERNATIONAL (FR) 2007-03-15 WO disclosed