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Phenylalanine

Phenylalanine

SCHEMBL6563941

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](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 6)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 10/20 0.34
▸ TLR2 O60603 3/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ PTH1R Q03431 5/20 0.33
▸ CCKBR P32239 2/20 0.33
▸ GCGR P47871 3/20 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 SCHEMBL6437396 0.98 GLP1R (0.34) GLP1RTLR2GHSRPTH1RCCKBR
Phenylalanine SCHEMBL6438432 0.97 GLP1R (0.34) GLP1RTLR2GHSRPTH1RCCKBR
Phenylalanine SCHEMBL6479234 0.93 GLP1R (0.35) GLP1RPTH1RCCKBRGCGR
Arginine SCHEMBL6482306 0.90 PTH1R (0.40) GLP1RPTH1RGCGR
Phenylalanine SCHEMBL6437301 0.89 GHSR (0.39) TLR2GHSRPTH1R
Tryptophan SCHEMBL10623343 0.87 GLP1R (0.39) GLP1RPTH1RGCGR
Arginine SCHEMBL8152157 0.87 GLP1R (0.38) GLP1RPTH1R
Tryptophan SCHEMBL9614424 0.86 PTH1R (0.39) GLP1RPTH1RGCGR
Tryptophan SCHEMBL10619278 0.86 GLP1R (0.41) GLP1RPTH1RGCGR
Tryptophan SCHEMBL5820703 0.86 PTH1R (0.39) GLP1RPTH1R

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-1399147-A2 THERAPEUTIC DELIVERY OF CARBON MONOXIDE Northwick Park Institute For Medical Research (GB) 2004-03-24 — — EP claimed
WO-2002092075-A2 THERAPEUTIC DELIVERY OF CARBON MONOXIDE NORTHWICK PARK INSTITUTE FOR MEDICAL RESEARCH (GB) 2002-11-21 — — WO claimed