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Phenylalanine

Phenylalanine

SCHEMBL28835549

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](O)[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](CC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CO)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 0.40

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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 11)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 6/20 0.40
▸ CRHR1 P34998 2/20 0.38
▸ CRHR2 Q13324 2/20 0.38
▸ F2 P00734 4/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ REN P00797 2/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ PTH1R Q03431 1/20 0.33

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
Tryptophan SCHEMBL28943517 0.93 PTH1R (0.38) CALCRPTH1R
Tyrosine SCHEMBL9538046 0.92 CRHR1 (0.40) CALCRCRHR1CRHR2F2NPY1R
Tryptophan SCHEMBL6479239 0.91 GLP1R (0.41) CALCRCRHR1CRHR2
Tryptophan SCHEMBL27661960 0.90 PTH1R (0.44) PTH1R
Tyrosine SCHEMBL27366389 0.90 GLP1R (0.41) CALCRCRHR1CRHR2
Tryptophan SCHEMBL6437399 0.90 GLP1R (0.41) CALCR
Histidine SCHEMBL7758642 0.90 CALCR (0.34) CALCRCRHR1CRHR2NPY1RNPY2R
Histidine SCHEMBL29169735 0.89 HCRTR1 (0.30) HCRTR1HCRTR2
Cystine SCHEMBL9697229 0.89 CALCR (0.37) CALCRCRHR1CRHR2PTH1R
Tryptophan SCHEMBL27646591 0.88 GLP1R (0.45) PTH1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106011163-A Method for cell-free expression of signal protein and expression system 武汉华美生物工程有限公司 2016-10-12 — — CN disclosed