Dl-Phenylalanine

Dl-Phenylalanine

SCHEMBL542310

NC(Cc1ccccc1)C(=O)O.O=C(O)CCC(=O)O

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1CDK4CDK6CHRM2CHRM3DPP4DRD2DRD3DRD4EGFRHRH1HTR1BHTR1DHTR1FHTR2AHTR2CHTR4SLC6A2SLC6A4

The experimentally established mechanism targets of Dl-Phenylalanine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR known ✓ P00533 1/20 0.51
▸ HTR2A known ✓ P28223 1/20 0.51
▸ SLC7A5 Q01650 4/20 0.85
▸ PTGS1 P23219 2/20 0.85
▸ ALPI P09923 1/20 0.85
▸ PKM P14618 1/20 0.85
▸ XIAP P98170 1/20 0.85
▸ SLC15A1 P46059 1/20 0.77
▸ LTA4H P09960 1/20 0.67
▸ SLC1A3 P43003 2/20 0.61
▸ SLC1A2 P43004 2/20 0.61
▸ SLC1A1 P43005 2/20 0.61
▸ CPA3 P15088 2/20 0.58
▸ KEAP1 Q14145 1/20 0.55
▸ CYP1A2 P05177 1/20 0.53
▸ GRIA2 P42262 1/20 0.53
▸ FFAR1 O14842 1/20 0.52
▸ CPA1 P15085 2/20 0.52
▸ CPB1 P15086 1/20 0.52
▸ CPB2 Q96IY4 1/20 0.52

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 SCHEMBL542311 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
Dl-Phenylalanine SCHEMBL20898620 0.93 SLC7A5 (0.79) SLC7A5PTGS1ALPIPKMXIAP
Dl-Phenylalanine SCHEMBL28189827 0.93 SLC7A5 (0.79) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine SCHEMBL9053640 0.93 SLC7A5 (0.79) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine SCHEMBL15656236 0.93 SLC7A5 (0.79) SLC7A5PTGS1ALPIPKMXIAP
Dl-Phenylalanine SCHEMBL15656237 0.93 SLC7A5 (0.79) SLC7A5PTGS1ALPIPKMXIAP
Dl-Phenylalanine SCHEMBL27747597 0.93 SLC7A5 (0.79) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL23159186 0.92 SLC7A5 (1.00) SLC7A5PTGS1ALPIPKMXIAP
Dl-Phenylalanine SCHEMBL288606 0.92 SLC7A5 (1.00) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine SCHEMBL8835931 0.92 SLC7A5 (1.00) SLC7A5PTGS1ALPIPKMXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102573845-A Novel dicarboxylic acid linked amino acid and peptide prodrugs of opioids and uses thereof SHIRE LLC 2012-07-11 — — CN disclosed
EP-2413937-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF Shire LLC (US) 2012-02-08 — — EP disclosed
US-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-11-11 — — US disclosed
WO-2010112942-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-10-07 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF VIP, OPRL1, OPRK1 EGFR 760/4885HTR2A 854/4885SLC7A5 83/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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