Homovanillic Acid

Homovanillic Acid

SCHEMBL9796291

COc1cc(CC(=O)O)ccc1O.NCCc1ccc(O)c(O)c1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1

The experimentally established mechanism targets of Homovanillic Acid. 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
TSHR P16473 4/20 0.76
GAA P10253 4/20 0.76
TDP1 Q9NUW8 4/20 0.76
NFKB1 P19838 3/20 0.76
ALDH1A1 P00352 2/20 0.76
TAAR1 Q96RJ0 3/20 0.70
MAPK1 P28482 3/20 0.70
LMNA P02545 4/20 0.68
GLA P06280 1/20 0.68
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
KDM4E B2RXH2 4/20 0.59
APEX1 P27695 3/20 0.59
MAPT P10636 3/20 0.59
THPO P40225 2/20 0.59
HIF1A Q16665 2/20 0.59
HSD17B10 Q99714 2/20 0.59
BLM P54132 2/20 0.59
PMP22 Q01453 2/20 0.59
RGS12 O14924 1/20 0.59

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
3,4-Dihydroxyphenylacetic Acid SCHEMBL8565392 0.89 GAA (0.76) TSHRGAATDP1NFKB1ALDH1A1
Dopamine SCHEMBL27902229 0.89 TAAR1 (0.90) TSHRGAATDP1NFKB1ALDH1A1
Homovanillic Acid SCHEMBL8792 0.87 GAA (1.00) TSHRGAATDP1NFKB1ALDH1A1
Homovanillic Acid SCHEMBL10535396 0.87 GAA (1.00) TSHRGAATDP1NFKB1ALDH1A1
Homovanillic Acid SCHEMBL30337229 0.87 GAA (1.00) TSHRGAATDP1NFKB1ALDH1A1
Homovanillic Acid SCHEMBL27603186 0.85 GAA (0.97) TSHRGAATDP1NFKB1ALDH1A1
SCHEMBL68386 0.84 TAAR1 (1.00) TSHRGAATDP1NFKB1ALDH1A1
SCHEMBL29365033 0.84 TAAR1 (1.00) TSHRGAATDP1NFKB1ALDH1A1
Vanillic Acid SCHEMBL28233699 0.84 HTT (0.68) TSHRGAATDP1NFKB1ALDH1A1
Hydrochloric Acid SCHEMBL347598 0.82 TAAR1 (1.00) TSHRGAATDP1NFKB1ALDH1A1

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
US-5030636-A Treating psychotic disorders HOFFMANN-LA ROCHE INC. (US) 1991-07-09 US disclosed