Phenylalanine

Phenylalanine

SCHEMBL10428532

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

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

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 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
MMP2 P08253 1/20 0.44
ANPEP P15144 3/20 0.44
RNPEP Q9H4A4 2/20 0.44
DNPEP Q9ULA0 2/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
THRB P10828 1/20 0.42
LTA4H P09960 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
IDO1 P14902 1/20 0.40
ERAP2 Q6P179 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39

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
Leucine SCHEMBL7557530 0.88 GSR (0.50) SLC7A5ANPEPRNPEPTHRBSLC1A3
Phenylalanine SCHEMBL723829 0.87 SLC7A5 (0.58) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL3691104 0.87 SLC7A5 (0.58) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL10428533 0.86 ALPI (0.49) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL10428531 0.86 ALPI (0.49) ALPIPKMPTGS1XIAPSLC7A5
Leucine SCHEMBL8513294 0.84 SLC7A5 (0.57) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL8975267 0.84 SLC7A5 (0.61) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL23152419 0.83 SLC7A5 (0.67) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL3401559 0.83 SLC7A5 (0.67) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL3401561 0.83 SLC7A5 (0.67) 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-0368920-A1 LECTINES FIXING BETA-D-GALACTOSIDE. IDEON CORP (US) 1990-05-23 EP claimed
WO-1989000581-A1 LECTINES FIXING BETA-D-GALACTOSIDE IDEON CORPORATION (US) 1989-01-26 WO claimed
EP-0368920-A1 LECTINES FIXING BETA-D-GALACTOSIDE. IDEON CORP (US) 1990-05-23 EP disclosed
WO-1989000581-A1 LECTINES FIXING BETA-D-GALACTOSIDE IDEON CORPORATION (US) 1989-01-26 WO disclosed