Phenylalanine

Phenylalanine

SCHEMBL6839646

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

nearest known ligand 0.55

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Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

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 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.55
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
KMT2A Q03164 1/20 0.45
SLC15A1 P46059 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
FNTA P49354 3/20 0.41
FNTB P49356 3/20 0.41
PGGT1B P53609 3/20 0.41

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 SCHEMBL6753059 0.95 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL23924471 0.95 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL6276488 0.95 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL7089920 0.95 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
Tyrosine SCHEMBL7751518 0.91 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL14658221 0.91 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL29503517 0.89 SLC7A5 (0.69) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL28231547 0.89 SLC7A5 (0.69) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL464776 0.89 SLC7A5 (0.69) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL28076342 0.89 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-20040081988-A1 Splice variant isoforms of human calcium channel CACNA1B ROSETTA INPHARMATICS LLC 2004-04-29 US disclosed