Dextrothyroxine

Dextrothyroxine

SCHEMBL5498887

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

nearest known ligand 0.76

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 0.76
THRA known ✓ P10827 7/20 0.76
MEN1 O00255 7/20 0.76
KMT2A Q03164 7/20 0.76
LMNA P02545 5/20 0.76
PPARG P37231 5/20 0.76
USP2 O75604 4/20 0.76
HSD17B10 Q99714 3/20 0.76
TTR P02766 2/20 0.76
ADORA3 P0DMS8 2/20 0.76
PDE4D Q08499 2/20 0.76
ALDH1A1 P00352 2/20 0.76
MAPT P10636 2/20 0.76
RXRA P19793 2/20 0.76
NR1I2 O75469 2/20 0.76
NR3C1 P04150 1/20 0.76
CYP1A2 P05177 1/20 0.76
HTR1A P08908 1/20 0.76
CYP2C9 P11712 1/20 0.76
TBXA2R P21731 1/20 0.76

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 SCHEMBL582058 1.00 THRB (0.76) THRBMEN1KMT2ATHRALMNA
Dextrothyroxine SCHEMBL1995243 1.00 THRB (0.76) THRBMEN1KMT2ATHRALMNA
Dextrothyroxine SCHEMBL34102 1.00 THRB (0.76) THRBMEN1KMT2ATHRALMNA
Dextrothyroxine SCHEMBL7112166 0.99 USP2 (0.76) THRBMEN1KMT2ATHRALMNA
Dextrothyroxine SCHEMBL2327406 0.99 USP2 (0.76) THRBMEN1KMT2ATHRALMNA
Dextrothyroxine SCHEMBL838270 0.99 USP2 (0.76) THRBMEN1KMT2ATHRALMNA
Levothyroxine SCHEMBL1560691 0.95 THRB (0.86) THRBMEN1KMT2ATHRALMNA
Levothyroxine SCHEMBL4965467 0.95 THRB (0.86) THRBMEN1KMT2ATHRALMNA
Dextrothyroxine SCHEMBL15569465 0.92 THRB (0.91) THRBMEN1KMT2ATHRALMNA
Dextrothyroxine SCHEMBL4437395 0.88 THRB (0.61) THRBMEN1KMT2ATHRALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737539-A1 THERAPEUTIC COMBINATION FOR TREATMENT OF ALZHEIMERS DISEASE Warner-Lambert Company LLC (US) 2007-01-03 EP disclosed
WO-2005099823-A1 THERAPEUTIC COMBINATION FOR TREATMENT OF ALZHEIMERS DISEASE WARNER-LAMBERT COMPANY LLC (US) 2005-10-27 WO disclosed