Acetaldehyde

Acetaldehyde

SCHEMBL7630487

CC=O.NCCc1nccs1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
FDPS P14324 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC6A3 Q01959 3/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
NOS1 P29475 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.34
DRD4 P21917 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL659365 0.88
Hydrochloric Acid SCHEMBL17184356 0.86 ALDH1A1 (0.42) CYP2C19FDPSCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL1028586 0.86
SCHEMBL2170936 0.76
SCHEMBL8671012 0.75 FDPS (0.47) CYP2C19FDPSCHRM2CHRM1CHRM3
SCHEMBL8560648 0.75 HRH1 (0.40) CYP2C19FDPSSLC6A3ALDH1A1TSHR
Hydrochloric Acid SCHEMBL17184529 0.75 TSHR (0.39) CYP2C19FDPSCHRM2CHRM1CHRM3
SCHEMBL1628173 0.75
Hydrochloric Acid SCHEMBL27275786 0.75 TSHR (0.39) CYP2C19FDPSCHRM2CHRM1CHRM3
SCHEMBL627047 0.73 HRH1 (0.43) FDPSALDH1A1TSHRNOS1HSD17B10

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
EP-1022279-B1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2002-09-04 EP disclosed
US-6310056-B1 2-SUBSTITUTED WITH A IMIDAZO(5,1-B)THIAZOLE GROUP; TREATING INFECTIONS, INCLUDING ANTIBIOTIC RESISTANT BACTERIAL INFECTIONS MEIJI SEIKA KAISHA, LTD. (JP) 2001-10-30 US disclosed