Phenylalanine

Phenylalanine

SCHEMBL8674476

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

nearest known ligand 0.56

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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 17)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.56
SLC7A5 Q01650 2/20 0.56
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
XIAP P98170 1/20 0.56
MMP2 P08253 1/20 0.52
GSR P00390 1/20 0.51
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
THRB P10828 1/20 0.46
FNTA P49354 3/20 0.44
FNTB P49356 3/20 0.44
PGGT1B P53609 3/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
KMT2A Q03164 1/20 0.43

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 SCHEMBL22207662 1.00 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL9295527 0.99 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL15323396 0.96 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL15323398 0.96 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL9541187 0.96 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL5503585 0.92 ALPI (0.48) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL15322658 0.91 ALPI (0.52) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL15322656 0.91 ALPI (0.52) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL29503517 0.91 SLC7A5 (0.69) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL464776 0.91 SLC7A5 (0.69) 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
US-5807980-A APROTININ DERIVATIVE CORVAS INTERNATIONAL, INC. (US) 1998-09-15 US disclosed