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Sugi Predict / Compounds / Tyrosine

Tyrosine

Tyrosine

SCHEMBL28368653

C[C@@H](O)[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACE

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 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 2/20 0.40
▸ TUBB P07437 2/20 0.40
▸ TUBA3C P0DPH7 2/20 0.40
▸ TUBA1B P68363 2/20 0.40
▸ TUBA4A P68366 2/20 0.40
▸ TUBB4B P68371 2/20 0.40
▸ TUBB3 Q13509 2/20 0.40
▸ TUBB2A Q13885 2/20 0.40
▸ TUBB8 Q3ZCM7 2/20 0.40
▸ TUBA3E Q6PEY2 2/20 0.40
▸ TUBA1A Q71U36 2/20 0.40
▸ TUBA1C Q9BQE3 2/20 0.40
▸ TUBB6 Q9BUF5 2/20 0.40
▸ TUBB2B Q9BVA1 2/20 0.40
▸ TUBB1 Q9H4B7 2/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ KDM1A O60341 3/20 0.40
▸ C5AR1 P21730 1/20 0.39
▸ MC4R P32245 1/20 0.39
▸ MAOB P27338 1/20 0.38

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 SCHEMBL29278795 0.97 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Tyrosine SCHEMBL27662655 0.89 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Arginine SCHEMBL29238661 0.89 APLNR (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Tyrosine SCHEMBL27465555 0.88 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Tyrosine SCHEMBL29038277 0.87 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Tyrosine SCHEMBL8185595 0.87 F2 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Arginine SCHEMBL27671351 0.86 TUBB4A (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Tyrosine SCHEMBL28760425 0.86 VIPR2 (0.43) KDM1AMAOBKDM5AKDM1BGLP1R
Arginine SCHEMBL28048007 0.86 KDM1A (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Arginine SCHEMBL21569401 0.86 KDM1A (0.34) KLK7KDM1AMC4RMAOBKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108078958-B Anti-tumor polypeptide nano-drug and preparation method and application thereof 国家纳米科学中心 2020-02-07 — — CN disclosed