Phenylalanine

Phenylalanine

SCHEMBL1921649

NCCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.61

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 0.61
SLC7A5 Q01650 2/20 0.61
ALPI P09923 1/20 0.61
PKM P14618 1/20 0.61
XIAP P98170 1/20 0.61
GSR P00390 2/20 0.56
MMP2 P08253 2/20 0.55
LTA4H P09960 1/20 0.55
SLC15A1 P46059 1/20 0.54
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
CPA3 P15088 1/20 0.51
THRB P10828 1/20 0.51
SLC1A3 P43003 3/20 0.50
SLC1A2 P43004 3/20 0.50
SLC1A1 P43005 3/20 0.50
GRM8 O00222 1/20 0.50
GRM6 O15303 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50

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 SCHEMBL1921315 0.95 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL1921318 0.95 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL3735403 0.93 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL214838 0.93 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL20740843 0.93 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
D-Phenylalanine SCHEMBL1537423 0.93 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL20740839 0.93 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL21314200 0.93 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
D-Phenylalanine SCHEMBL8220086 0.93 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL237820 0.93 SLC7A5 (0.71) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4800481-B2 2011-10-26 JP claimed
US-20100298227-A1 Treatment of autoimmune conditions with Copolymer 1 and related copolymers President and Fellows of Harvard College and Yeda Research 2010-11-25 US claimed
US-20080207526-A1 Synthetic peptides and methods of use for autoimmune disease therapies PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-08-28 US claimed
EP-1098902-A4 TREATMENT OF AUTOIMMUNE CONDITIONS WITH COPOLYMER 1 AND RELATED COPOLYMERS AND PEPTIDES YEDA RES & DEV (IL) 2002-07-24 EP claimed
EP-1105414-A2 SYNTHETIC PEPTIDES AND METHODS OF USE FOR AUTOIMMUNE DISEASE THERAPIES President And Fellows of Harvard College (US) 2001-06-13 EP claimed
EP-1098902-A1 TREATMENT OF AUTOIMMUNE CONDITIONS WITH COPOLYMER 1 AND RELATED COPOLYMERS AND PEPTIDES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2001-05-16 EP claimed
WO-2000005250-A9 TREATMENT OF AUTOIMMUNE CONDITIONS WITH COPOLYMER 1 AND RELATED COPOLYMERS AND PEPTIDES YEDA RES & DEV (IL) 2000-10-12 WO claimed
WO-2000005250-A1 TREATMENT OF AUTOIMMUNE CONDITIONS WITH COPOLYMER 1 AND RELATED COPOLYMERS AND PEPTIDES YEDA RESEARCH AND DEVELOPMENT CO., LTD (IL) 2000-02-03 WO claimed
WO-2000005249-A2 SYNTHETIC PEPTIDES AND METHODS OF USE FOR AUTOIMMUNE DISEASE THERAPIES THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-03 WO claimed
EP-2848627-A2 Treatment of autoimmune conditions with copolymer 1 and related copolymers and peptides YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2015-03-18 EP disclosed
EP-2327712-A2 Treatment of autoimmune conditions with copolymer 1 and related copolymers and peptides YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2011-06-01 EP disclosed
US-20080207526-A1 Synthetic peptides and methods of use for autoimmune disease therapies PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-08-28 US disclosed
US-20040006022-A1 Synthetic peptides and methods of use for autoimmune disease therapies PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2004-01-08 US disclosed
EP-1105414-A2 SYNTHETIC PEPTIDES AND METHODS OF USE FOR AUTOIMMUNE DISEASE THERAPIES President And Fellows of Harvard College (US) 2001-06-13 EP disclosed
WO-2000005249-A2 SYNTHETIC PEPTIDES AND METHODS OF USE FOR AUTOIMMUNE DISEASE THERAPIES THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-03 WO disclosed