Phenylalanine

Phenylalanine

SCHEMBL8207729

CC[C@H](C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NCC(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.38

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 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 known ✓ P23219 1/20 0.34
▸ BACE1 P56817 2/20 0.38
▸ THRB P10828 1/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ PLAU P00749 2/20 0.34
▸ PLAUR Q03405 2/20 0.34
▸ ALPI P09923 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ XIAP P98170 1/20 0.34
▸ SLC7A5 Q01650 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTH1R Q03431 1/20 0.32

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 SCHEMBL8207726 0.87 BACE1 (0.33) BACE1THRBMMP2KMT2A
Phenylalanine SCHEMBL6707280 0.87 THRB (0.37) BACE1THRBMMP2PLAUPLAUR
Tryptophan SCHEMBL8831012 0.85 PTH1R (0.41) KMT2APTH1R
Dl-Phenylalanine SCHEMBL28430093 0.83 ALPI (0.41) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL2502333 0.83 BACE1 (0.40) BACE1THRBMMP2PLAUPLAUR
Dl-Phenylalanine SCHEMBL28197596 0.82 THRB (0.46) THRBMMP2ALPIPKMPTGS1
Dl-Phenylalanine SCHEMBL28104359 0.82 ALPI (0.46) BACE1THRBMMP2PLAUPLAUR
Tyrosine SCHEMBL9170935 0.81 SLC7A5 (0.43) THRBSLC7A5KMT2A
Dl-Phenylalanine SCHEMBL29136216 0.81 ANPEP (0.45) THRBMMP2PLAUPLAURALPI
Arginine SCHEMBL29194956 0.80 TFPI (0.40) PTH1R

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-6150153-A PURE CULTURE OF SULFOLOBUS AND MUTANTS HAVING AT LEAST 0.03 UNIT/ML OF ENZYME ACTIVITY; FOR HYDROLASE ENZYME USED IN MANUFACTURE OF FOODS, COSMETICS, DRUGS KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2000-11-21 — — US disclosed
EP-0688866-B1 Thermostable trehalose-releasing enzyme, and its preparation and uses HAYASHIBARA BIOCHEM LAB (JP) 1998-09-09 — — EP disclosed
US-5723327-A HYDROLYZES OLIGO- AND POLYSACCHARIDES WITH TREHALOSE END UNIT; CULTURING SULFOBUS; FOODS, COSMETICS, DRUGS KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 1998-03-03 — — US disclosed
EP-0688866-A1 Thermostable trehalose-releasing enzyme, and its preparation and uses KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 1995-12-27 — — EP disclosed
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