Doxazosin

Doxazosin

SCHEMBL4725733

COc1cc2nc(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)nc(N)c2cc1OC.CS(=O)(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1D

The experimentally established mechanism targets of Doxazosin. 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
ADRA1D known ✓ P25100 1/20 0.92
ADRA1A known ✓ P35348 1/20 0.92
ADRA1B known ✓ P35368 1/20 0.92
KMT2A Q03164 3/20 1.00
CYP3A4 P08684 2/20 1.00
HSD17B10 Q99714 2/20 1.00
KDM4E B2RXH2 2/20 1.00
MEN1 O00255 2/20 1.00
ALDH1A1 P00352 2/20 1.00
HPGD P15428 2/20 1.00
TP53 P04637 1/20 1.00
MAPK1 P28482 1/20 1.00
USP2 O75604 1/20 1.00
CYP2C19 P33261 1/20 1.00
ABCC4 O15439 1/20 1.00
GMNN O75496 1/20 1.00
ABCB11 O95342 1/20 1.00
LMNA P02545 1/20 1.00
HLA-A P04439 1/20 1.00
GLA P06280 1/20 1.00

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
Doxazosin SCHEMBL29359735 1.00 KMT2A (1.00) KMT2ACYP3A4HSD17B10KDM4EMEN1
Doxazosin SCHEMBL29429099 1.00 KMT2A (1.00) KMT2ACYP3A4HSD17B10KDM4EMEN1
Doxazosin SCHEMBL2945426 1.00 KMT2A (1.00) KMT2ACYP3A4HSD17B10KDM4EMEN1
Doxazosin SCHEMBL42621 1.00 KMT2A (1.00) KMT2ACYP3A4HSD17B10KDM4EMEN1
Doxazosin SCHEMBL158685 1.00 KMT2A (1.00) KMT2ACYP3A4HSD17B10KDM4EMEN1
Doxazosin SCHEMBL17652050 0.98 KMT2A (0.95) KMT2ACYP3A4HSD17B10KDM4EMEN1
Doxazosin SCHEMBL10549641 0.97 KMT2A (0.94) KMT2ACYP3A4HSD17B10KDM4EMEN1
Doxazosin SCHEMBL10416953 0.96 KMT2A (0.93) KMT2ACYP3A4HSD17B10KDM4EMEN1
Doxazosin SCHEMBL1648487 0.96 KMT2A (1.00) KMT2ACYP3A4HSD17B10KDM4EMEN1
Doxazosin SCHEMBL29711371 0.96 KMT2A (1.00) KMT2ACYP3A4HSD17B10KDM4EMEN1

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
WO-2008016199-A1 PROCESS FOR THE PREPARATION OF CHIRAL 2-HYDROXYMETHYL-1,4-BENZODIOXANE COMPOUND AHN-GOOK PHARMACEUTICAL CO., LTD. (KR) 2008-02-07 WO disclosed