Phenylalanine

Phenylalanine

SCHEMBL8610376

CS(=O)(=O)O.N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.79

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Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 6/20 0.79
ALPI P09923 1/20 0.79
PKM P14618 1/20 0.79
PTGS1 P23219 1/20 0.79
XIAP P98170 1/20 0.79
SLC1A3 P43003 2/20 0.57
SLC1A2 P43004 2/20 0.57
SLC1A1 P43005 2/20 0.57
SLC15A1 P46059 1/20 0.53
NOS3 P29474 2/20 0.53
NOS1 P29475 2/20 0.53
NOS2 P35228 2/20 0.53
LTA4H P09960 2/20 0.51
TPH1 P17752 1/20 0.51
ANPEP P15144 1/20 0.50
RNPEP Q9H4A4 1/20 0.50
DNPEP Q9ULA0 1/20 0.50
GRIA2 P42262 1/20 0.50

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 SCHEMBL8610372 1.00 SLC7A5 (0.79) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL246543 0.93 SLC7A5 (0.85) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL27873303 0.93 SLC7A5 (0.85) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL246542 0.93 SLC7A5 (0.85) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL11240666 0.91 SLC7A5 (0.81) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL28570385 0.89 SLC7A5 (0.92) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL8609036 0.89 SLC7A5 (0.92) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL28570383 0.89 SLC7A5 (0.92) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL8609032 0.89 SLC7A5 (0.92) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL28298770 0.89 SLC7A5 (0.92) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180256717-A1 PROTEIN COMPOSITIONS AND USE THEREOF DRUG DISCOVERY LABORATORY AS (NO) 2018-09-13 US disclosed
EP-3236942-A1 PROTEIN COMPOSITIONS AND USE THEREOF Drug Discovery Laboratory AS (NO) 2017-11-01 EP disclosed
WO-2016103034-A1 PROTEIN COMPOSITIONS AND USE THEREOF DRUG DISCOVERY LABORATORY AS (NO) 2016-06-30 WO disclosed
US-5723576-A POLYPEPTIDES FOR ENZYME INHIBITORS AND HIRUNDIN DEVELOPMENT BIOTECHNOLOGICAL PROCESSES S.N.C. (IT) 1998-03-03 US disclosed
EP-0804470-A1 THROMBIN INHIBITORS, THE PREPARATION THEREOF AND THE USE THEREOF FOR THERAPEUTICAL, PROPHYLACTIC AND DIAGNOSTIC APPLICATIONS DEVELOPMENT BIOTECHNOLOGICAL PROCESSES S.N.C. DI PELLICCIA MARIA TERESA (IT) 1997-11-05 EP disclosed
WO-1994024156-A1 THROMBIN INHIBITORS, THE PREPARATION THEREOF AND THE USE THEREOF FOR THERAPEUTICAL, PROPHYLACTIC AND DIAGNOSTIC APPLICATIONS DEVELOPMENT BIOTECHNOLOGICAL PROCESSES S.N.C. DI PELLICCIA MARIA TERESA (IT) 1994-10-27 WO disclosed