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Sugi Predict / Compounds / Tyrosine

Tyrosine

Tyrosine

SCHEMBL6554735

NC(=O)C[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.O=C(O)[C@@H]1CCCN1.O=C(O)[C@@H]1CCCN1.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

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

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.39
▸ ITGA4 P13612 11/20 0.36
▸ ITGB1 P05556 2/20 0.32
▸ TPH1 P17752 1/20 0.31
▸ DPP4 P27487 1/20 0.31

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
Tyrosine SCHEMBL6554731 0.95 SLC7A5 (0.36) SLC7A5ITGA4ITGB1
Tyrosine SCHEMBL7630915 0.93 SLC7A5 (0.39) SLC7A5ITGA4ITGB1
Tyrosine SCHEMBL6554685 0.92 ITGA4 (0.33) SLC7A5ITGA4
Tyrosine SCHEMBL6511987 0.88 SLC7A5 (0.36) SLC7A5ITGA4ITGB1
Histidine SCHEMBL5583260 0.88 CYP3A4 (0.31) SLC7A5
Tyrosine SCHEMBL4948067 0.88 SLC7A5 (0.35) SLC7A5ITGA4
Tyrosine SCHEMBL6157198 0.88 SLC7A5 (0.35) SLC7A5ITGA4
Histidine SCHEMBL29262331 0.87 PTGS1 (0.34) SLC7A5
Histidine SCHEMBL8084688 0.83 — —
D-Histidine SCHEMBL11606906 0.82 SLC7A5 (0.35) SLC7A5TPH1

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
EP-0957111-B1 Specific binding proteins for treating canine allergy IDEXX LAB INC (US) 2004-12-29 — — EP claimed
EP-1082340-A1 PEPTIDE VACCINE FOR CANINE ALLERGY IDEXX LABORATORIES, INC. (US) 2001-03-14 — — EP claimed
WO-2000058349-A1 PEPTIDE VACCINE FOR CANINE ALLERGY IDEXX LABORATORIES, INC. (US) 2000-10-05 — — WO claimed
EP-0955311-A2 Peptide vaccine for canine allergy IDEXX LABORATORIES, INC. (US) 1999-11-10 — — EP claimed