Isoproterenol

Isoproterenol

SCHEMBL7268328

CC(C)NCC(O)c1ccc(O)c(O)c1.CS(=O)(=O)O

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ADRB3

The experimentally established mechanism targets of Isoproterenol. 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
ADRB2 known ✓ P07550 9/20 0.85
ADRB1 known ✓ P08588 6/20 0.85
ADRB3 known ✓ P13945 6/20 0.85
MAPT P10636 8/20 0.85
KDM4E B2RXH2 8/20 0.85
TDP1 Q9NUW8 6/20 0.85
MEN1 O00255 6/20 0.85
KMT2A Q03164 6/20 0.85
LMNA P02545 6/20 0.85
TSHR P16473 4/20 0.85
MAPK1 P28482 4/20 0.85
HSD17B10 Q99714 4/20 0.85
HIF1A Q16665 4/20 0.85
MTOR P42345 3/20 0.85
CYP1A2 P05177 3/20 0.85
CYP3A4 P08684 3/20 0.85
NFKB1 P19838 2/20 0.85
ALDH1A1 P00352 2/20 0.85
ADORA3 P0DMS8 2/20 0.85
DRD2 P14416 2/20 0.85

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
Isoproterenol SCHEMBL582812 0.98 ADRB2 (0.85) ADRB2MAPTKDM4ETDP1ADRB1
Isoproterenol SCHEMBL41841 0.97 MAPT (0.85) ADRB2MAPTKDM4ETDP1ADRB1
Isoproterenol SCHEMBL5682034 0.95 MAPT (0.82) ADRB2MAPTKDM4ETDP1ADRB1
Isoproterenol SCHEMBL29519146 0.92 MAPT (1.00) ADRB2MAPTKDM4ETDP1ADRB1
Isoproterenol SCHEMBL3253794 0.92 MAPT (1.00) ADRB2MAPTKDM4ETDP1ADRB1
Isoproterenol SCHEMBL29386243 0.92 MAPT (1.00) ADRB2MAPTKDM4ETDP1ADRB1
Levisoprenaline SCHEMBL29620666 0.92 MAPT (1.00) ADRB2MAPTKDM4ETDP1ADRB1
Isoproterenol SCHEMBL4165 0.92 MAPT (1.00) ADRB2MAPTKDM4ETDP1ADRB1
Isoproterenol SCHEMBL4166 0.92 MAPT (1.00) ADRB2MAPTKDM4ETDP1ADRB1
Levisoprenaline SCHEMBL250806 0.92 MAPT (1.00) ADRB2MAPTKDM4ETDP1ADRB1

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
CN-110753541-A Pharmaceutical compositions for in vivo delivery, process for preparing substantially water insoluble pharmacologically active agents ZY治疗公司 2020-02-04 CN disclosed
WO-2003084470-A2 COMPOSITIONS AND METHODS FOR TARGETED BIOLOGICAL DELIVERY OF MOLECULAR CARRIERS ARIZEKE PHARMACEUTICALS, INC. (US) 2003-10-16 WO disclosed