Dextrothyroxine

Dextrothyroxine

SCHEMBL4633728

CC(=O)Oc1ccccc1C(=O)O.CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+]

nearest known ligand 0.45

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 8/20 0.45
THRA known ✓ P10827 5/20 0.41
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
LMNA P02545 5/20 0.45
USP2 O75604 4/20 0.45
HSD17B10 Q99714 3/20 0.45
HIF1A Q16665 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
BLM P54132 1/20 0.45
MCL1 Q07820 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADRB2 P07550 6/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42

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 SCHEMBL5934540 0.83 THRB (0.58) THRBMEN1KMT2ALMNAUSP2
Albuterol SCHEMBL4632758 0.82 ADRB2 (0.64) HSD17B10HIF1AALDH1A1HPGDBLM
Ipratropium SCHEMBL4632130 0.78 MEN1 (0.33) MEN1KMT2ASMN1; SMN2TSHR
Dextrothyroxine SCHEMBL5498887 0.70 THRB (0.76) THRBMEN1KMT2ALMNAUSP2
Dextrothyroxine SCHEMBL1995243 0.70 THRB (0.76) THRBMEN1KMT2ALMNAUSP2
Dextrothyroxine SCHEMBL34102 0.70 THRB (0.76) THRBMEN1KMT2ALMNAUSP2
Dextrothyroxine SCHEMBL582058 0.70 THRB (0.76) THRBMEN1KMT2ALMNAUSP2
Dextrothyroxine SCHEMBL15569465 0.69 THRB (0.91) THRBMEN1KMT2ALMNAUSP2
SCHEMBL4632760 0.69 ADRB2 (0.52) HIF1AADRB2CYP1A2CYP2D6TSHR
Dextrothyroxine SCHEMBL7112166 0.69 USP2 (0.76) THRBMEN1KMT2ALMNAUSP2

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-1494711-A4 METHODS FOR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) ABGENIX INC (US) 2008-05-28 EP disclosed
EP-1494711-A1 METHODS FOR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) Abgenix, Inc. (US) 2005-01-12 EP disclosed
WO-2003080117-A1 METHODS FOR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) ABGENIX, INC. (US) 2003-10-02 WO disclosed