Phenylalanine

Phenylalanine

SCHEMBL1921945

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

nearest known ligand 0.63

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 0.63
▸ SLC7A5 Q01650 2/20 0.63
▸ ALPI P09923 1/20 0.63
▸ PKM P14618 1/20 0.63
▸ XIAP P98170 1/20 0.63
▸ GSR P00390 1/20 0.57
▸ MMP2 P08253 1/20 0.56
▸ ITGB3 P05106 1/20 0.53
▸ ITGA2B P08514 1/20 0.53
▸ THRB P10828 1/20 0.52
▸ ANPEP P15144 1/20 0.49
▸ RNPEP Q9H4A4 1/20 0.49
▸ DNPEP Q9ULA0 1/20 0.49
▸ SLC1A3 P43003 1/20 0.48
▸ SLC1A2 P43004 1/20 0.48
▸ SLC1A1 P43005 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ LTA4H P09960 2/20 0.46

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 SCHEMBL20586939 1.00 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL1921946 1.00 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL28079151 0.96 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL3220238 0.94 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL21314200 0.94 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL20740839 0.94 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL20740843 0.94 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
D-Phenylalanine SCHEMBL8215749 0.94 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL214838 0.94 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
D-Phenylalanine SCHEMBL1537423 0.94 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 21 patents — showing the first 20. 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
US-9066905-B2 Synthetic peptides and methods of use for autoimmune disease therapies PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-06-30 — — US disclosed
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-7566767-B2 Synthetic peptides and methods of use for autoimmune disease therapies PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-07-28 — — US 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
EP-1750741-A1 METHODS OF TREATING DISEASE WITH RANDOM COPOLYMERS Peptimmune, Inc. (US) 2007-02-14 — — EP disclosed
WO-2005120542-A2 METHODS OF TREATING DISEASE WITH RANDOM COPOLYMERS PEPTIMMUNE, INC. (US) 2005-12-22 — — WO disclosed
WO-2005112972-A1 METHODS OF TREATING DISEASE WITH RANDOM COPOLYMERS PEPTIMMUNE, INC. (US) 2005-12-01 — — WO 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
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