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Phenylalanine

Phenylalanine

SCHEMBL6480790

CSCC[C@H](N)C(=O)OC(=O)[C@@H](N)[C@@H](C)OC(=O)[C@@H](N)Cc1ccc(OC(=O)[C@@H](N)C(C)C)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 0.38

Full drug profile on Sugi Atlas →

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 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ GHSR Q92847 10/20 0.35
▸ CTSC P53634 2/20 0.35
▸ TACR1 P25103 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ PLA2G2A P14555 1/20 0.34
▸ DPP3 Q9NY33 1/20 0.34
▸ CCKAR P32238 1/20 0.34
▸ CCKBR P32239 1/20 0.34

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 SCHEMBL9668359 0.93 MEN1 (0.39) MEN1KMT2AKDM4ELMNAMPO
Phenylalanine SCHEMBL6437301 0.90 GHSR (0.39) MEN1KMT2AGHSR
Phenylalanine SCHEMBL6438432 0.83 GLP1R (0.34) GHSRCCKBR
Dl-Tryptophan SCHEMBL8202162 0.81 MEN1 (0.53) MEN1KMT2AKDM4ELMNAMPO
Tryptophan SCHEMBL8202168 0.81 MEN1 (0.53) MEN1KMT2AKDM4ELMNAMPO
Phenylalanine SCHEMBL6563941 0.80 GLP1R (0.34) GHSRCCKBR
Tryptophan SCHEMBL5705404 0.80 GHSR (0.44) MEN1KMT2AKDM4ELMNAMPO
Tryptophan SCHEMBL1901826 0.78 MEN1 (0.44) MEN1KMT2AKDM4ELMNAMPO
Tryptophan SCHEMBL8412516 0.78 GHSR (0.33) GHSRPLG
Tryptophan SCHEMBL7366382 0.78 MEN1 (0.46) 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-1562578-A1 THERAPEUTIC DELIVERY OF CARBON MONOXIDE TO EXTRACORPOREAL AND ISOLATED ORGANS Hemocorm Limited (GB) 2005-08-17 — — EP claimed
WO-2004045598-A1 THERAPEUTIC DELIVERY OF CARBON MONOXIDE TO EXTRACORPOREAL AND ISOLATED ORGANS HEMOCORM LIMITED (GB) 2004-06-03 — — WO claimed