Epinephrine

Epinephrine

SCHEMBL8465140

CNC[C@H](O)c1ccc(O)c(O)c1.NCCc1ccc(O)c(O)c1.NC[C@H](O)c1ccc(O)c(O)c1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3

The experimentally established mechanism targets of Epinephrine. 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 8/20 0.67
ADRA2A known ✓ P08913 6/20 0.67
ADRB1 known ✓ P08588 6/20 0.67
ADRB3 known ✓ P13945 5/20 0.67
ADRA1D known ✓ P25100 5/20 0.67
ADRA2B known ✓ P18089 4/20 0.67
ADRA2C known ✓ P18825 4/20 0.67
ADRA1A known ✓ P35348 4/20 0.67
ADRA1B known ✓ P35368 4/20 0.67
TDP1 Q9NUW8 10/20 0.67
MAPT P10636 10/20 0.67
KDM4E B2RXH2 10/20 0.67
RECQL P46063 6/20 0.67
HSD17B10 Q99714 6/20 0.67
MAPK1 P28482 6/20 0.67
DRD2 P14416 5/20 0.67
HIF1A Q16665 5/20 0.67
DRD3 P35462 5/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67

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
Epinephrine SCHEMBL11236183 0.96 MAPT (0.72) TDP1MAPTKDM4EADRB2RECQL
Racepinephrine SCHEMBL11236186 0.96 MAPT (0.72) TDP1MAPTKDM4EADRB2RECQL
Epinephrine SCHEMBL2963939 0.96 MAPT (0.72) TDP1MAPTKDM4EADRB2RECQL
Racepinephrine SCHEMBL27540379 0.96 MAPT (0.72) TDP1MAPTKDM4EADRB2RECQL
Epinephrine SCHEMBL1819597 0.89 TDP1 (0.84) TDP1MAPTKDM4EADRB2RECQL
Norepinephrine SCHEMBL632724 0.89 MAPT (0.74) TDP1MAPTKDM4EADRB2RECQL
Levodopa SCHEMBL5084107 0.88 KDM4E (0.57) TDP1MAPTKDM4EADRB2RECQL
Levodopa SCHEMBL5905696 0.88 KDM4E (0.57) TDP1MAPTKDM4EADRB2RECQL
Isoproterenol SCHEMBL28086470 0.88 MAPT (0.68) TDP1MAPTKDM4EADRB2RECQL
Levodopa SCHEMBL4412421 0.85 KDM4E (0.53) TDP1MAPTKDM4EADRB2RECQL

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-0735888-A4 PURINE COMPOSITIONS AND METHODS FOR ADMINISTRATION FUKUNAGA ATSUO F (US) 1999-05-12 EP disclosed
EP-0735888-A1 PURINE COMPOSITIONS AND METHODS FOR ADMINISTRATION FUKUNAGA, Atsuo F. (US) 1996-10-09 EP disclosed
WO-1995014478-A1 PURINE COMPOSITIONS AND METHODS FOR ADMINISTRATION FUKUNAGA ATSUO F (US) 1995-06-01 WO disclosed