Phenylalanine

Phenylalanine

SCHEMBL3431329

C[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.Nc1ccc([N+](=O)[O-])cc1.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

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
DPP4 P27487 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
MMP2 P08253 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSC P53634 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MC4R P32245 1/20 0.38
MAPT P10636 1/20 0.37
ANPEP P15144 1/20 0.37

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 SCHEMBL8981660 1.00 DPP4 (0.41) DPP4DPP7DPP8DPP9ALPI
Phenylalanine SCHEMBL18957689 0.96 ALPI (0.44) DPP4DPP7DPP8DPP9ALPI
4-Nitroaniline SCHEMBL16269538 0.89 SLC6A3 (0.40) DPP4DPP7DPP8DPP9PKM
4-Nitroaniline SCHEMBL6600220 0.89 ALDH1A1 (0.42) DPP4DPP7DPP8DPP9PKM
Phenylalanine SCHEMBL1094608 0.87 SLC7A5 (0.54) DPP4DPP7DPP8DPP9ALPI
Phenylalanine SCHEMBL3062589 0.87 SLC7A5 (0.54) DPP4DPP7DPP8DPP9ALPI
Dl-Phenylalanine SCHEMBL21899689 0.87 SLC7A5 (0.54) DPP4DPP7DPP8DPP9ALPI
Dl-Phenylalanine SCHEMBL21899690 0.87 SLC7A5 (0.54) DPP4DPP7DPP8DPP9ALPI
Dl-Phenylalanine SCHEMBL27867001 0.87 SLC7A5 (0.54) DPP4DPP7DPP8DPP9ALPI
Dl-Phenylalanine SCHEMBL29006920 0.85 CTSC (0.45) DPP4DPP7DPP8DPP9ALPI

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-3310911-A1 BACILLUS GIBSONII-CLADE SERINE PROTEASES Danisco US Inc. (US) 2018-04-25 EP disclosed
WO-2016205755-A1 BACILLUS GIBSONII-CLADE SERINE PROTEASES DANISCO US INC. (US) 2016-12-22 WO disclosed
EP-2252682-A1 CLEANING COMPOSITIONS The Procter & Gamble Company (US) 2010-11-24 EP disclosed
WO-2009102854-A1 CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2009-08-20 WO disclosed