Methane

Methane

SCHEMBL3489699

C.O=C(Cl)OCc1ccc2c(c1)OC([N+](=O)[O-])O2

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 1/20 0.40
HTT P42858 5/20 0.34
KMT2A Q03164 5/20 0.33
PKM P14618 3/20 0.33
NAAA Q02083 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 4/20 0.32
MAPT P10636 3/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL9562060 0.99 ALDH1A1 (0.41) ALDH1A1CYP3A4HTTKMT2APKM
SCHEMBL9392813 0.76 P2RY6 (0.41) ALDH1A1CYP3A4MAPTTSHRSMN1; SMN2
SCHEMBL636947 0.76 DRD5 (0.31) CYP3A4
SCHEMBL9562071 0.72 RAB9A (0.35) ALDH1A1HTTKMT2ARAB9AMEN1
SCHEMBL10048027 0.71 CYP3A4 (0.74) ALDH1A1CYP3A4HTTKMT2APKM
SCHEMBL2945569 0.70 ALDH1A1 (0.46) ALDH1A1CYP3A4KMT2ARAB9AMEN1
SCHEMBL158920 0.68 IDO1 (0.58) ALDH1A1HTTRAB9AMAPTTSHR
SCHEMBL8021350 0.68 ALDH1A1 (0.78) ALDH1A1CYP3A4KMT2AMEN1MAPK1
SCHEMBL1493670 0.67 KMT2A (0.60) ALDH1A1HTTKMT2APKMRAB9A
SCHEMBL9799540 0.67 CYP3A4 (0.59) ALDH1A1CYP3A4HTTKMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056392-A1 MICROSTRUCTURE AND MICRODOMAIN MICROARRAYS, METHODS OF MAKING SAME AND USES THEREOF ENERGY, UNITED STATES DEPARTMENT OF 2010-03-04 US disclosed
US-20080188618-A1 Porous Acrylate Copolymer Films and Uses Therefor ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2008-08-07 US disclosed
EP-1910826-A2 MICROSTRUCTURE AND MICRODOMAIN MICROARRAYS, METHODS OF MAKING AND USING THEREOF Arizona Board of Regents, acting for and on behalf of Arizona State University (US) 2008-04-16 EP disclosed
WO-2006138479-A2 MICROSTRUCTURE AND MICRODOMAIN MICROARRAYS, METHODS OF MAKING AND USING THEREOF ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2006-12-28 WO disclosed