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Phenylalanine

Phenylalanine

SCHEMBL8207726

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

nearest known ligand 0.34

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
▸ BACE1 P56817 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ THRB P10828 1/20 0.31
▸ MMP2 P08253 1/20 0.30
▸ TLR2 O60603 1/20 0.30
▸ ANPEP P15144 1/20 0.30
▸ CTSD P07339 1/20 0.30

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 SCHEMBL8207729 0.87 BACE1 (0.38) BACE1KMT2ATHRBMMP2
Phenylalanine SCHEMBL6707277 0.83 THRB (0.34) KMT2ATHRBMMP2ANPEP
Lysine SCHEMBL9173541 0.80 ITGB3 (0.41) KMT2ATHRB
Tryptophan SCHEMBL8831012 0.79 PTH1R (0.41) KMT2A
Glutamine SCHEMBL2502331 0.78 THRB (0.36) BACE1THRBANPEP
Dl-Phenylalanine SCHEMBL28197596 0.77 THRB (0.46) THRBMMP2ANPEP
Tyrosine SCHEMBL9170935 0.76 SLC7A5 (0.43) KMT2ATHRB
Phenylalanine SCHEMBL6707280 0.75 THRB (0.37) BACE1KMT2ATHRBMMP2
Lysine SCHEMBL10424736 0.75 ITGB3 (0.33) —
Phenylalanine SCHEMBL6455365 0.74 SLC7A5 (0.54) KMT2A

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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