Acetaminophen

Acetaminophen

SCHEMBL1666004

CC(=O)Nc1ccc(O)cc1.O=C([O-])[O-].[Ca+2]

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

FAAHPTGS1PTGS2TRPV1

The experimentally established mechanism targets of Acetaminophen. 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
KMT2A Q03164 5/20 0.83
ALDH1A1 P00352 4/20 0.83
MAPT P10636 3/20 0.83
MEN1 O00255 3/20 0.83
CA1 P00915 3/20 0.83
CA2 P00918 3/20 0.83
CA12 O43570 2/20 0.83
CA9 Q16790 2/20 0.83
BRD4 O60885 1/20 0.83
NR1I2 O75469 1/20 0.83
MB P02144 1/20 0.83
CYP1A1 P04798 1/20 0.83
CA3 P07451 1/20 0.83
CYP3A4 P08684 1/20 0.83
RARG P13631 1/20 0.83
TSHR P16473 1/20 0.83
ALOX5AP P20292 1/20 0.83
CA4 P22748 1/20 0.83
CA7 P43166 1/20 0.83
NR1I3 Q14994 1/20 0.83

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
Acetaminophen SCHEMBL3480 0.91 KMT2A (1.00) KMT2AALDH1A1MAPTMEN1CA1
Acetaminophen SCHEMBL252939 0.91 KMT2A (1.00) KMT2AALDH1A1MAPTMEN1CA1
Acetaminophen SCHEMBL8937727 0.91 KMT2A (1.00) KMT2AALDH1A1MAPTMEN1CA1
Acetaminophen SCHEMBL2267074 0.90 MAPT (0.80) KMT2AALDH1A1MAPTMEN1CA1
Acetaminophen SCHEMBL10325382 0.89 KMT2A (0.95) KMT2AALDH1A1MAPTMEN1CA1
Acetaminophen SCHEMBL8207526 0.89 KMT2A (0.95) KMT2AALDH1A1MAPTMEN1CA1
Acetaminophen SCHEMBL8959271 0.89 KMT2A (0.95) KMT2AALDH1A1MAPTMEN1CA1
Acetaminophen SCHEMBL20541508 0.89 ALDH1A1 (0.95) KMT2AALDH1A1MAPTMEN1CA1
Acetaminophen SCHEMBL8197085 0.89 KMT2A (0.95) KMT2AALDH1A1MAPTMEN1CA1
Acetaminophen SCHEMBL5081499 0.89 KMT2A (0.95) KMT2AALDH1A1MAPTMEN1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140066516-A1 Novel Method GlaxoSmithKline, LLC (US) 2014-03-06 US disclosed
US-8604084-B2 Method GlaxoSmithKline, LLC (US) 2013-12-10 US disclosed
US-20110301243-A1 NOVEL METHOD GLAXOSMITHKLINE LLC 2011-12-08 US disclosed
CN-102170782-A Novel method SMITHKLINE BEECHAM CORP 2011-08-31 CN disclosed
EP-2309852-A1 NOVEL METHOD GlaxoSmithKline LLC (US) 2011-04-20 EP disclosed
WO-2010014661-A1 NOVEL METHOD SMITHKLINE BEECHAM CORPORATION (US) 2010-02-04 WO disclosed