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Phenylalanine

Phenylalanine

SCHEMBL6437396

CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)Oc1ccc(C[C@H](N)C(=O)O[C@H](C)[C@H](N)C(=O)OC(=O)CC[C@H](N)C(=O)O)cc1.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.NCC(=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](CS)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1

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
▸ GLP1R P43220 11/20 0.34
▸ CCKBR P32239 2/20 0.34
▸ TLR2 O60603 1/20 0.32
▸ PTH1R Q03431 5/20 0.32
▸ GHSR Q92847 1/20 0.32
▸ GCGR P47871 3/20 0.32
▸ CALCR P30988 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 SCHEMBL6563941 0.98 GLP1R (0.34) GLP1RCCKBRTLR2PTH1RGHSR
Phenylalanine SCHEMBL6438432 0.95 GLP1R (0.34) GLP1RCCKBRTLR2PTH1RGHSR
Phenylalanine SCHEMBL6479234 0.95 GLP1R (0.35) GLP1RCCKBRPTH1RGCGRCALCR
Arginine SCHEMBL6482306 0.91 PTH1R (0.40) GLP1RPTH1RGCGR
Tryptophan SCHEMBL5820703 0.88 PTH1R (0.39) GLP1RPTH1R
Phenylalanine SCHEMBL6437301 0.87 GHSR (0.39) TLR2PTH1RGHSR
Tryptophan SCHEMBL10623343 0.85 GLP1R (0.39) GLP1RPTH1RGCGR
Arginine SCHEMBL8152157 0.85 GLP1R (0.38) GLP1RPTH1R
Tryptophan SCHEMBL28943517 0.85 PTH1R (0.38) GLP1RCCKBRPTH1RGHSRCALCR
Tryptophan SCHEMBL9614424 0.85 PTH1R (0.39) GLP1RPTH1RGCGR

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