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Phenylalanine

Phenylalanine

SCHEMBL8314461

CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N.N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1ccc(OC(=O)[C@@H](N)Cc2c[nH]cn2)cc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.34

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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 20)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 4/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 1/20 0.33
▸ TUBA1C Q9BQE3 1/20 0.33
▸ TUBB6 Q9BUF5 1/20 0.33
▸ TUBB2B Q9BVA1 1/20 0.33
▸ TUBB1 Q9H4B7 1/20 0.33
▸ REN P00797 5/20 0.32

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 SCHEMBL1585346 0.96 TUBB4A (0.33) MAPK8MAPK9MAPK10TUBB4ATUBB
Valine SCHEMBL18684829 0.96 TUBB4A (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Valine SCHEMBL16989787 0.95 TUBB4A (0.31) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Arginine SCHEMBL8311754 0.90 TUBB4A (0.33) APLNRTUBB4ATUBBTUBA3CTUBA1B
Arginine SCHEMBL7575372 0.90 TUBB4A (0.34) APLNRTUBB4ATUBBTUBA3CTUBA1B
Valine SCHEMBL16992661 0.88 NPY4R (0.35) GLP1RNPY1RNPY4R
Phenylalanine SCHEMBL6387319 0.87 REN (0.34) REN
Arginine SCHEMBL27538187 0.86 TUBB4A (0.38) APLNRTUBB4ATUBBTUBA3CTUBA1B
Arginine SCHEMBL6868910 0.84 APLNR (0.33) APLNRGLP1R
Proline SCHEMBL18075887 0.84 REN (0.31) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0744614-B1 Use of Isoelectric point markers for isoelectric focusing with fluorescence detection LAB MOLECULAR BIOPHOTONICS (JP) 1999-12-22 — — EP disclosed
US-5866683-A Isoelectric point markers for isoelectric focusing with fluorescence detection LABORATORY OF MOLECULAR BIOPHOTONICS (JP) 1999-02-02 — — US disclosed
EP-0744614-A2 Isoelectric point markers for isoelectric focusing with fluorescence detection Laboratory of Molecular Biophotonics (JP) 1996-11-27 — — EP disclosed