Dextrothyroxine

Dextrothyroxine

SCHEMBL5934540

CC(=O)Oc1ccccc1C(=O)O.N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+]

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

THRATHRB

The experimentally established mechanism targets of Dextrothyroxine. 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
THRB known ✓ P10828 11/20 0.58
THRA known ✓ P10827 7/20 0.58
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
LMNA P02545 6/20 0.58
HSD17B10 Q99714 5/20 0.58
USP2 O75604 4/20 0.58
ALDH1A1 P00352 3/20 0.58
BLM P54132 3/20 0.58
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.58
POLB P06746 1/20 0.58
ALOX12 P18054 1/20 0.58
MCL1 Q07820 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HIF1A Q16665 1/20 0.58
PPARG P37231 5/20 0.58
TTR P02766 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
PDE4D Q08499 2/20 0.58

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
Dextrothyroxine SCHEMBL34102 0.84 THRB (0.76) THRBMEN1KMT2ALMNAHSD17B10
Dextrothyroxine SCHEMBL582058 0.84 THRB (0.76) THRBMEN1KMT2ALMNAHSD17B10
Dextrothyroxine SCHEMBL1995243 0.84 THRB (0.76) THRBMEN1KMT2ALMNAHSD17B10
Dextrothyroxine SCHEMBL5498887 0.84 THRB (0.76) THRBMEN1KMT2ALMNAHSD17B10
Dextrothyroxine SCHEMBL4633728 0.83 THRB (0.45) THRBMEN1KMT2ALMNAHSD17B10
Dextrothyroxine SCHEMBL2327406 0.83 USP2 (0.76) THRBMEN1KMT2ALMNAHSD17B10
Dextrothyroxine SCHEMBL7112166 0.83 USP2 (0.76) THRBMEN1KMT2ALMNAHSD17B10
Dextrothyroxine SCHEMBL838270 0.83 USP2 (0.76) THRBMEN1KMT2ALMNAHSD17B10
Levothyroxine SCHEMBL4965467 0.82 THRB (0.86) THRBMEN1KMT2ALMNAHSD17B10
Levothyroxine SCHEMBL1560691 0.82 THRB (0.86) THRBMEN1KMT2ALMNAHSD17B10

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
US-20060166204-A1 Parkinson's disease susceptibility haptotype as a tool for genetic screening YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-07-27 US disclosed