Dopamine

Dopamine

SCHEMBL246139

NC(=O)CCC(=O)O.NCCc1ccc(O)c(O)c1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1

The experimentally established mechanism targets of Dopamine. 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
KDM4E B2RXH2 4/20 0.66
MAPT P10636 4/20 0.66
TDP1 Q9NUW8 3/20 0.66
MAPK1 P28482 3/20 0.66
ADRA2A P08913 2/20 0.66
DRD2 P14416 2/20 0.66
DRD1 P21728 2/20 0.66
DRD4 P21917 2/20 0.66
DRD5 P21918 2/20 0.66
SLC6A2 P23975 2/20 0.66
DRD3 P35462 2/20 0.66
RECQL P46063 2/20 0.66
SLC6A3 Q01959 2/20 0.66
APEX1 P27695 2/20 0.66
THPO P40225 2/20 0.66
HIF1A Q16665 2/20 0.66
HSD17B10 Q99714 2/20 0.66
ALOX15 P16050 2/20 0.66
TAAR1 Q96RJ0 2/20 0.66
ALDH1A1 P00352 2/20 0.66

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
Dopamine SCHEMBL5441164 0.87 KDM4E (0.81) KDM4EMAPTTDP1MAPK1ADRA2A
Dopamine SCHEMBL3689353 0.86 KDM4E (0.68) KDM4EMAPTTDP1MAPK1ADRA2A
Dopamine SCHEMBL20696071 0.86 KDM4E (0.68) KDM4EMAPTTDP1MAPK1ADRA2A
Dopamine SCHEMBL9051903 0.85 KDM4E (0.84) KDM4EMAPTTDP1MAPK1ADRA2A
Dopamine SCHEMBL28995038 0.85 KDM4E (0.84) KDM4EMAPTTDP1MAPK1ADRA2A
Dopamine SCHEMBL30355306 0.85 KDM4E (0.84) KDM4EMAPTTDP1MAPK1ADRA2A
Dopamine SCHEMBL28841647 0.84 KDM4E (0.60) KDM4EMAPTTDP1MAPK1ADRA2A
Dopamine SCHEMBL29082656 0.83 KDM4E (0.79) KDM4EMAPTTDP1MAPK1ADRA2A
3,4-Dihydroxyphenylacetic Acid SCHEMBL8565392 0.82 GAA (0.76) KDM4EMAPTTDP1MAPK1ADRA2A
Dopamine SCHEMBL28940538 0.82 KDM4E (0.72) KDM4EMAPTTDP1MAPK1ADRA2A

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
US-20120003888-A1 BIOADHESIVE CONSTRUCTS WITH POLYMER BLENDS KNC NER ACQUISITION SUB, INC. (US) 2012-01-05 US disclosed
EP-2334305-A1 BIOADHESIVE CONSTRUCTS KNC NER Acquisition Sub, Inc. (US) 2011-06-22 EP disclosed