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Phenylalanine

Phenylalanine

SCHEMBL9668359

CSCC[C@H](N)C(=O)OC(=O)[C@@H](N)[C@@H](C)OC(=O)[C@@H](N)Cc1ccc(O)cc1.N[C@@H](COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.39

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Known targets — ChEMBL curated mechanism

SLC5A2

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 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MPO P05164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ TACR1 P25103 2/20 0.37
▸ PLG P00747 1/20 0.37

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 SCHEMBL6480790 0.93 MEN1 (0.38) MEN1KMT2AKDM4ELMNAMPO
Phenylalanine SCHEMBL6437301 0.83 GHSR (0.39) MEN1KMT2A
Dl-Tryptophan SCHEMBL8202162 0.83 MEN1 (0.53) MEN1KMT2AKDM4ELMNAMPO
Tryptophan SCHEMBL8202168 0.83 MEN1 (0.53) MEN1KMT2AKDM4ELMNAMPO
Phenylalanine SCHEMBL10537187 0.82 GHSR (0.39) MEN1KMT2ATACR1
Tryptophan SCHEMBL9668365 0.82 MEN1 (0.43) MEN1KMT2AKDM4ELMNAMPO
Tyrosine SCHEMBL6135474 0.81 KMT2A (0.50) MEN1KMT2AKDM4ELMNAMPO
Tryptophan SCHEMBL6480796 0.81 MEN1 (0.41) MEN1KMT2AKDM4ELMNAMPO
Dl-Tryptophan SCHEMBL29015084 0.80 KDM4E (0.58) MEN1KMT2AKDM4ELMNAMPO
Tyrosine SCHEMBL1833539 0.80 KMT2A (0.55) MEN1KMT2AKDM4ELMNAMPO

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
EP-0506923-A1 A COLLAGEN BINDING PROTEIN AS WELL AS ITS PREPARATION. ALFA LAVAL AGRI INT (SE) 1992-10-07 — — EP disclosed
WO-1992007002-A1 A COLLAGEN BINDING PROTEIN AS WELL AS ITS PREPARATION ALFA-LAVAL AGRI INTERNATIONAL AKTIEBOLAG (SE) 1992-04-30 — — WO disclosed