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Phenylalanine

Phenylalanine

SCHEMBL7449347

CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)Oc1ccc(C[C@H](N)C(=O)O)cc1.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.33

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 7)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 16/20 0.33
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ F2 P00734 1/20 0.31

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 SCHEMBL6241797 0.98 GLP1R (0.33) GLP1RITGB3ITGA2BCRHR1CRHR2
Tyrosine SCHEMBL7449350 0.92 GLP1R (0.36) GLP1RCRHR1CRHR2F2
Arginine SCHEMBL7211146 0.83 GLP1R (0.35) GLP1R
Arginine SCHEMBL10423273 0.83 GLP1R (0.37) GLP1R
Tryptophan SCHEMBL3654502 0.83 PTH1R (0.45) GLP1R
Dl-Phenylalanine SCHEMBL27667772 0.83 THRB (0.34) GLP1RITGB3ITGA2BTHRB
Histidine SCHEMBL3504806 0.82 CRHR1 (0.31) CRHR1CRHR2
Phenylalanine SCHEMBL28079153 0.82 BACE1 (0.36) GLP1RTHRBCRHR1CRHR2
Phenylalanine SCHEMBL1239320 0.82 ANPEP (0.36) ITGB3ITGA2BTHRB
Tyrosine SCHEMBL28529415 0.81 THRB (0.39) THRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812191-A4 AGLYCO PRODUCTS BOGOCH SAMUEL (US) 2002-07-24 — — EP claimed
EP-0812191-A1 AGLYCO PRODUCTS Bogoch, Samuel, Dr. (US) 1997-12-17 — — EP claimed
WO-1996032106-A1 AGLYCO PRODUCTS BOGOCH SAMUEL (US) 1996-10-17 — — WO claimed