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Phenylalanine

Phenylalanine

SCHEMBL6437301

CC(C)C[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)OC(=O)[C@@H](N)[C@@H](C)OC(=O)[C@@H](N)Cc1ccc(OC(=O)[C@@H](N)C(C)C)cc1.CSCC[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.39

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 9)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 8/20 0.39
▸ TLR2 O60603 4/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTH1R Q03431 5/20 0.32
▸ REN P00797 1/20 0.32
▸ NTSR2 O95665 1/20 0.32
▸ NTSR1 P30989 1/20 0.32
▸ SORT1 Q99523 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 SCHEMBL6438432 0.90 GLP1R (0.34) GHSRTLR2PTH1R
Phenylalanine SCHEMBL6480790 0.90 MEN1 (0.38) GHSRMEN1KMT2A
Phenylalanine SCHEMBL6563941 0.89 GLP1R (0.34) GHSRTLR2PTH1R
Phenylalanine SCHEMBL6437396 0.87 GLP1R (0.34) GHSRTLR2PTH1R
Phenylalanine SCHEMBL6479234 0.86 GLP1R (0.35) PTH1R
Tryptophan SCHEMBL10619278 0.85 GLP1R (0.41) PTH1R
Phenylalanine SCHEMBL9668359 0.83 MEN1 (0.39) MEN1KMT2A
Phenylalanine SCHEMBL9010810 0.83 GHSR (0.39) GHSRTLR2MEN1KMT2A
Arginine SCHEMBL6482306 0.83 PTH1R (0.40) PTH1R
Tryptophan SCHEMBL8346942 0.82 MEN1 (0.42) GHSRMEN1KMT2AREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562579-A1 THERAPEUTIC DELIVERY OF CARBON MONOXIDE Hemocorm Limited (GB) 2005-08-17 — — EP claimed
WO-2004045599-A1 THERAPEUTIC DELIVERY OF CARBON MONOXIDE HEMOCORM LIMITED (GB) 2004-06-03 — — WO claimed