Phenylalanine

Phenylalanine

SCHEMBL9603018

NCCc1ccc(O)c(O)c1.N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1

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
SLC7A5 Q01650 6/20 0.70
ALOX15 P16050 4/20 0.70
PTGS1 P23219 3/20 0.70
KDM4E B2RXH2 3/20 0.70
RECQL P46063 3/20 0.70
TDP1 Q9NUW8 3/20 0.70
HIF1A Q16665 3/20 0.70
HSD17B10 Q99714 3/20 0.70
USP2 O75604 2/20 0.70
EGFR P00533 1/20 0.70
LCK P06239 1/20 0.70
FYN P06241 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
HTR2A P28223 1/20 0.70
PTGS2 P35354 1/20 0.70
PKM P14618 2/20 0.61
ALPI P09923 1/20 0.61
XIAP P98170 1/20 0.61
ADRA2A P08913 2/20 0.58
MAPT P10636 2/20 0.58

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 SCHEMBL20898388 1.00 SLC7A5 (0.70) SLC7A5ALOX15PTGS1KDM4ERECQL
Levodopa SCHEMBL5494247 0.93 SLC7A5 (0.82) SLC7A5ALOX15PTGS1KDM4ERECQL
Levodopa SCHEMBL1491625 0.93 SLC7A5 (0.82) SLC7A5ALOX15PTGS1KDM4ERECQL
Levodopa SCHEMBL5494243 0.93 SLC7A5 (0.82) SLC7A5ALOX15PTGS1KDM4ERECQL
Levodopa SCHEMBL1491628 0.93 SLC7A5 (0.82) SLC7A5ALOX15PTGS1KDM4ERECQL
Tyrosine SCHEMBL28116186 0.92 SLC7A5 (0.70) SLC7A5ALOX15PTGS1KDM4ERECQL
Levodopa SCHEMBL28992922 0.92 SLC7A5 (0.79) SLC7A5ALOX15PTGS1KDM4ERECQL
Levodopa SCHEMBL6369139 0.90 SLC7A5 (0.73) SLC7A5ALOX15PTGS1KDM4ERECQL
Levodopa SCHEMBL29260902 0.90 SLC7A5 (0.73) SLC7A5ALOX15PTGS1KDM4ERECQL
Levodopa SCHEMBL896629 0.90 SLC7A5 (0.87) SLC7A5ALOX15PTGS1KDM4ERECQL

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-0381696-B1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF COCAINE ADDICTION MATRIX TECHNOLOGIES, INC. (US) 1993-07-28 EP disclosed
EP-0381696-A4 TREATMENT OF COCAINE ADDICTION 1990-10-10 EP disclosed
EP-0381696-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF COCAINE ADDICTION. MATRIX TECHNOLOGIES INC (US) 1990-08-16 EP disclosed
WO-1989003211-A1 TREATMENT OF COCAINE ADDICTION MATRIX TECHNOLOGIES, INCORPORATED (US) 1989-04-20 WO disclosed