Phenylalanine

Phenylalanine

SCHEMBL3455496

NCC(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

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 20)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.45
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45
MMP2 P08253 1/20 0.43
CTSC P53634 1/20 0.43
GSR P00390 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
GHSR Q92847 1/20 0.39
ERAP2 Q6P179 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
OPRK1 P41145 1/20 0.38
REN P00797 1/20 0.38
THRB P10828 1/20 0.37
ACE P12821 1/20 0.37
DPP8 Q6V1X1 3/20 0.37
DPP9 Q86TI2 2/20 0.37
DPP7 Q9UHL4 2/20 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 SCHEMBL4405044 1.00 ALPI (0.45) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL6461209 1.00 ALPI (0.45) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL21878868 0.97 ALPI (0.48) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL3099767 0.97 ALPI (0.48) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL1675279 0.97 ALPI (0.48) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL28033410 0.94 ALPI (0.43) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL28854621 0.94 OPRK1 (0.42) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL2764420 0.92 SLC7A5 (0.54) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL4612447 0.92 SLC7A5 (0.54) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL10428633 0.92 SLC7A5 (0.54) 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
US-8530181-B2 Method of screening for compounds which affect the cleavage of EphA7 byγ-secretase EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-10 US disclosed
EP-2219028-B1 SCREENING METHOD UTILIZING NOVEL SUBSTRATE EPHA7 FOR GAMMA-SECRETASE EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-20100255522-A1 Screening Method Utilizing Novel Substrate EphA7 for Gamma-Secretase EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-07 US disclosed
EP-2219028-A1 SCREENING METHOD UTILIZING NOVEL SUBSTRATE EphA7 FOR gamma-SECRETASE Eisai R&D Management Co., Ltd. (JP) 2010-08-18 EP disclosed