Nicotinaldehyde

Nicotinaldehyde

SCHEMBL4595065

CC(=O)c1cccnc1.O=Cc1cccnc1

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP1A1 P04798 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP1B1 Q16678 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
APP P05067 1/20 0.50
GAA P10253 1/20 0.50
HCAR3 P49019 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 2/20 0.49
JUN P05412 1/20 0.49
NFKB1 P19838 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
F7 P08709 1/20 0.49

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
Formic Acid SCHEMBL27888254 0.86 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTKMT2ACYP1A1
Nicotinaldehyde SCHEMBL9008649 0.86 MAPT (0.55) ALDH1A1KDM4EMAPTKMT2ACYP1A1
Nicotinaldehyde SCHEMBL9005450 0.86 MAPT (0.55) ALDH1A1KDM4EMAPTKMT2ACYP1A1
SCHEMBL8039612 0.86
SCHEMBL29496911 0.86
SCHEMBL1699 0.86
Iodide SCHEMBL10528928 0.84 ALDH1A1 (0.63) ALDH1A1KMT2ACYP1A2CYP3A4APP
Hydrochloric Acid SCHEMBL4897791 0.84 ALDH1A1 (0.63) ALDH1A1KMT2ACYP1A2CYP3A4APP
SCHEMBL28981715 0.84 ALDH1A1 (0.63) ALDH1A1KMT2ACYP1A2CYP3A4APP
SCHEMBL29569031 0.84 ALDH1A1 (0.63) ALDH1A1KMT2ACYP1A2CYP3A4APP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973938-B1 THE USE OF NADPH AND NADH ANALOGS IN THE MEASUREMENT OF ENZYME ACTIVITIES AND METABOLITES SPECIALTY ASSAYS INC (US) 2008-01-02 EP disclosed
EP-0973938-A4 THE USE OF NADPH AND NADH ANALOGS IN THE MEASUREMENT OF ENZYME ACTIVITIES AND METABOLITES SPECIALTY ASSAYS INC (US) 2000-04-26 EP disclosed
EP-0973938-A1 THE USE OF NADPH AND NADH ANALOGS IN THE MEASUREMENT OF ENZYME ACTIVITIES AND METABOLITES Specialty Assays, Inc. (US) 2000-01-26 EP disclosed
US-5801006-A Use of NADPH and NADH analogs in the measurement of enzyme activities and metabolites SPECIALTY ASSAYS, INC. (US) 1998-09-01 US disclosed
WO-1998033936-A1 THE USE OF NADPH AND NADH ANALOGS IN THE MEASUREMENT OF ENZYME ACTIVITIES AND METABOLITES SPECIALTY ASSAYS, INC. (US) 1998-08-06 WO disclosed