Acetaldehyde

Acetaldehyde

SCHEMBL1704750

CC=O.O=[N+]([O-])NN(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
LMNA P02545 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPK1 P28482 3/20 0.37
TLR9 Q9NR96 2/20 0.37
S1PR4 O95977 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HPGD P15428 1/20 0.37
S1PR1 P21453 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 2/20 0.37
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 5/20 0.33
POLB P06746 1/20 0.33
MITF O75030 1/20 0.33

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
SCHEMBL38002 0.91 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
Methyl Alcohol SCHEMBL27709287 0.89 ATM (0.41) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL176982 0.89 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
Formaldehyde SCHEMBL2941056 0.87 ALDH1A1 (0.40) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
Alcohol SCHEMBL27523839 0.85 ALDH1A1 (0.40) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
Acetonitrile SCHEMBL1262524 0.85 ALDH1A1 (0.36) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
Acetic Acid SCHEMBL8462148 0.85 ATM (0.41) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
Phosphoric Acid SCHEMBL27824259 0.83 ALDH1A1 (0.37) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
Sulfuric Acid SCHEMBL8936551 0.83 MEN1 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2TLR9
Thiourea SCHEMBL8854711 0.80 ALDH1A1 (0.39) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3311811-A1 GENOTYPE SPECIFIC METHODS FOR TREATING HUMAN SUBJECTS USING 4- METHYLPYRAZOLE Horizon Orphan LLC (US) 2018-04-25 EP disclosed
US-20180098964-A1 GENOTYPE SPECIFIC METHODS FOR TREATING HUMAN SUBJECTS USING 4-METHYLPYRAZOLE HORIZON ORPHAN LLC (US) 2018-04-12 US disclosed
CN-106943398-A The Serotype-dependent method of human individual is treated using 4 methylpyrazoles 雷普特医疗公司 2017-07-14 CN disclosed
US-20170007578-A1 Genotype Specific Methods for Treating Human Subjects Using 4-Methylpyrazole HORIZON THERAPEUTICS U.S. HOLDING LLC (FKA RAPTOR PHARMACEUTICALS INC.) 2017-01-12 US disclosed
US-20160243082-A1 4-Methylpyrazole Formulations for Inhibiting Ethanol Intolerance HORIZON THERAPEUTICS U.S. HOLDING LLC (FKA RAPTOR PHARMACEUTICALS INC.) 2016-08-25 US disclosed
CN-105769860-A Application of clomethiazole as medicine for preventing and treating liver and esophageal disease 乔海灵 2016-07-20 CN disclosed
CN-105664181-A Application of chlorzoxazone serving as probe drug in determination of metabolic activity of human body to nitrosamine compounds 乔海灵 2016-06-15 CN disclosed
US-9326971-B2 4-methylpyrazole formulations for inhibiting ethanol intolerance RAPTOR PHARMACEUTICALS INC. (US) 2016-05-03 US disclosed
US-20140155450-A1 4-Methylpyrazole Formulations for Inhibiting Ethanol Intolerance RAPTOR PHARMACEUTICALS INC. (US) 2014-06-05 US disclosed
US-20130150419-A1 4-METHYLPYRAZOLE FORMULATIONS FOR INHIBITING ETHANOL INTOLERANCE Raptor Therapeutiacs Inc. (US) 2013-06-13 US disclosed
US-20120322843-A1 GENOTYPE SPECIFIC METHODS FOR TREATING HUMAN SUBJECTS USING 4-METHYLPYRAZOLE RAPTOR THERAPEUTICS INC. (US) 2012-12-20 US disclosed
US-20120252857-A1 GENOTYPE SPECIFIC METHODS FOR TREATING HUMAN SUBJECTS USING 4-METHYLPYRAZOLE HORIZON THERAPEUTICS U.S. HOLDING LLC (FKA RAPTOR PHARMACEUTICALS INC.) 2012-10-04 US disclosed
CN-102458121-A Genotype specific methods of treating human subjects using 4-methylpyrazole RAPTOR THERAPEUTICS INC 2012-05-16 CN disclosed
EP-2440049-A1 GENOTYPE SPECIFIC METHODS FOR TREATING HUMAN SUBJECTS USING 4- METHYLPYRAZOLE Raptor Therapeutics Inc. (US) 2012-04-18 EP disclosed
US-20110053999-A1 4-METHYLPYRAZOLE FORMULATIONS FOR INHIBITING ETHANOL INTOLERANCE HORIZON ORPHAN LLC 2011-03-03 US disclosed
WO-2010144518-A1 GENOTYPE SPECIFIC METHODS FOR TREATING HUMAN SUBJECTS USING 4- METHYLPYRAZOLE RAPTOR THERAPEUTICS INC. (US) 2010-12-16 WO disclosed