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Phenylalanine

Phenylalanine

SCHEMBL28079153

CC(C)C[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)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

nearest known ligand 0.36

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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
▸ BACE1 P56817 1/20 0.36
▸ CALCR P30988 3/20 0.35
▸ CRHR1 P34998 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ FNTA P49354 4/20 0.32
▸ FNTB P49356 4/20 0.32
▸ PGGT1B P53609 4/20 0.32
▸ GLP1R P43220 6/20 0.32
▸ THRB P10828 1/20 0.31

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
Dl-Phenylalanine SCHEMBL27667772 0.93 THRB (0.34) CALCRGLP1RTHRB
D-Histidine SCHEMBL27900898 0.93 BACE1 (0.33) BACE1CALCRCRHR1CRHR2THRB
Dl-Phenylalanine SCHEMBL27338521 0.91 BACE1 (0.35) BACE1CALCRTHRB
Phenylalanine SCHEMBL8318058 0.87 BACE1 (0.35) BACE1CALCRCRHR1CRHR2FNTA
Arginine SCHEMBL27611401 0.87 PTH1R (0.36) CALCRGLP1R
Phenylalanine SCHEMBL28835549 0.86 CALCR (0.40) BACE1CALCRCRHR1CRHR2
Cystine SCHEMBL9667228 0.85 CALCR (0.32) CALCRCRHR1CRHR2GLP1R
Cystine SCHEMBL9667231 0.85 CALCR (0.32) CALCRCRHR1CRHR2GLP1R
Dl-Phenylalanine SCHEMBL27711798 0.84 ALPI (0.37) BACE1
Tyrosine SCHEMBL27801169 0.84 CALCR (0.35) BACE1CALCRCRHR1CRHR2GLP1R

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
CN-105765067-A Modified beta-galactosidase 天野酶株式会社 2016-07-13 — — CN claimed
CN-105765067-A Modified beta-galactosidase 天野酶株式会社 2016-07-13 — — CN disclosed