Phenylalanine

Phenylalanine

SCHEMBL218898

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

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

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 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 known ✓ P0DMS8 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
▸ SLC1A3 P43003 2/20 0.61
▸ SLC1A2 P43004 2/20 0.61
▸ SLC1A1 P43005 2/20 0.61
▸ SLC15A1 P46059 1/20 0.61
▸ LTA4H P09960 1/20 0.57
▸ CYP1A2 P05177 1/20 0.53
▸ GRIA2 P42262 1/20 0.53
▸ CPA1 P15085 2/20 0.52
▸ CPB1 P15086 1/20 0.52
▸ CPA3 P15088 1/20 0.52
▸ CPB2 Q96IY4 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ EGFR P00533 1/20 0.51

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 SCHEMBL1637917 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
Dl-Phenylalanine SCHEMBL4862934 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine SCHEMBL1011892 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
D-Phenylalanine SCHEMBL1537448 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine SCHEMBL3496164 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine SCHEMBL2679075 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
Dl-Phenylalanine SCHEMBL9650016 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine SCHEMBL1675272 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
Dl-Phenylalanine SCHEMBL21816915 1.00 SLC7A5 (0.85) SLC7A5PTGS1ALPIPKMXIAP
Dl-Phenylalanine SCHEMBL27579186 1.00 SLC7A5 (0.85) 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 265 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113521299-B Pyrazolopyrimidine derivative or conjugate thereof, preparation method and application thereof 江苏恒瑞医药股份有限公司 2024-07-16 — — CN claimed
CN-118201943-A Anti-inflammatory compound and application thereof 映恩生物制药(苏州)有限公司 2024-06-14 — — CN claimed
CN-118176020-A Anti-DLL 3 antibody, antibody-drug conjugate thereof and medical application thereof 江苏恒瑞医药股份有限公司 2024-06-11 — — CN claimed
CN-118119408-A Anti-CD 37 antibody-drug conjugates 第一三共株式会社 2024-05-31 — — CN claimed
CN-118103359-A Preparation method of eribulin derivative 江苏恒瑞医药股份有限公司 2024-05-28 — — CN claimed
CN-118043080-A Antibody coupling medicine based on microtubule inhibitor 昆山新蕴达生物科技有限公司 2024-05-14 — — CN claimed
WO-2024092067-A1 CD70 ANTIBODY DRUG CONJUGATES AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2024-05-02 — — WO claimed
CN-117881431-A Antibody-conjugated drug conjugated by cleavable linker 昆山新蕴达生物科技有限公司 2024-04-12 — — CN claimed
CN-117813119-A Protein-antiviral compound conjugates 里珍纳龙药品有限公司 2024-04-02 — — CN claimed
CN-117752813-A anti-CD 33 antibodies and anti-CD 33 antibody-drug conjugates and uses thereof 成都百利多特生物药业有限责任公司 2024-03-26 — — CN claimed
US-20140315785-A1 METHODS RELATED TO THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY CONDITIONS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES 2014-10-23 — — US claimed
US-20120142615-A1 METHODS RELATED TO THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY CONDITIONS HUMAN SERVICE (US) 2012-06-07 — — US claimed
US-20080038199-A1 Methods Related to the Treatment of Neurodegenerative and Inflammatory Conditions THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED (US) 2008-02-14 — — US claimed
EP-1750711-A2 TREATMENT OF NEUROGENERATIVE AND INFLAMMATORY CONDITIONS WITH MORPHINAN THE GOVERNMENT OF THE UNITED STATES OF AMERICA, represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-02-14 — — EP claimed
US-20050272093-A1 Assays for screening compounds which interact with cation channel proteins, mutant prokaryotic cation channel proteins, and uses thereof MACKINNON RODERICK 2005-12-08 — — US claimed
WO-2005112931-A2 METHODS RELATED TO THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY CONDITIONS THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-12-01 — — WO claimed
US-6641997-B1 Tetrameric, two-transmembrane-domain-type bound to a solid support; substituting amino acids to permit binding to agitoxin; use in treating cardiac arrhythmia, diabetes, seizures, asthma and hypertension THE ROCKEFELLER UNIVERSITY 2003-11-04 — — US claimed
EP-1062508-A1 ASSAYS FOR SCREENING COMPOUNDS WHICH INTERACT WITH CATION CHANNEL PROTEINS, MUTANT PROKARYOTIC CATION CHANNEL PROTEINS, AND USES THEREOF THE ROCKEFELLER UNIVERSITY (US) 2000-12-27 — — EP claimed
WO-1999047923-A9 ASSAYS FOR SCREENING COMPOUNDS WHICH INTERACT WITH CATION CHANNEL PROTEINS, MUTANT PROKARYOTIC CATION CHANNEL PROTEINS, AND USES THEREOF UNIV ROCKEFELLER (US) 2000-02-17 — — WO claimed
WO-1999047923-A2 ASSAYS FOR SCREENING COMPOUNDS WHICH INTERACT WITH CATION CHANNEL PROTEINS, MUTANT PROKARYOTIC CATION CHANNEL PROTEINS, AND USES THEREOF THE ROCKEFELLER UNIVERSITY (US) 1999-09-23 — — WO claimed

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

For each of this compound's patents that has machine-readable text (3 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-20080038199-A1 Methods Related to the Treatment of Neurodegenerative and Inflammatory Conditions VGF, NLN, BDNF ADORA3 2358/4885SLC7A5 2995/4885PTGS1 1037/4885
US-20120142615-A1 METHODS RELATED TO THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY CONDITIONS VGF, NLN, BDNF ADORA3 2358/4885SLC7A5 2995/4885PTGS1 1037/4885
US-20140315785-A1 METHODS RELATED TO THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY CONDITIONS VGF, NLN, BDNF ADORA3 2358/4885SLC7A5 2995/4885PTGS1 1037/4885

“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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