Methane

Methane

SCHEMBL2010936

C.CC(CC(=O)O)O[N+](=O)[O-]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
GSR P00390 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
CPA1 P15085 1/20 0.33
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 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
SCHEMBL2012234 0.98 PTGS1 (0.38) PTGS1PTGS2GSRLMNASMN1; SMN2
Ethane SCHEMBL2010620 0.96 PTGS1 (0.37) PTGS1PTGS2GSRLMNASMN1; SMN2
SCHEMBL29000747 0.81 ALDH1A1 (0.42) PTGS1PTGS2GSRSMN1; SMN2CPA1
SCHEMBL2010934 0.78 TSHR (0.36) PTGS1PTGS2GSRSMN1; SMN2HTT
SCHEMBL397367 0.75 LMNA (0.38) PTGS1PTGS2LMNAMEN1BLM
SCHEMBL2010617 0.75 LMNA (0.40) PTGS1PTGS2LMNASMN1; SMN2TDP1
SCHEMBL396281 0.75 LMNA (0.38) PTGS1PTGS2LMNAMEN1BLM
SCHEMBL396280 0.75 LMNA (0.38) PTGS1PTGS2LMNAMEN1BLM
SCHEMBL9952503 0.73 LMNA (0.34) GSRLMNASMN1; SMN2MEN1BLM
SCHEMBL18244469 0.73 PTGS2 (0.48) PTGS1PTGS2GSRCPA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365489-B2 Nitrooxy alkanoic acids and derivatives thereof in feed for reducing methane emission in ruminants, and/or to improve ruminant performance DSM IP ASSETS B.V. (NL) 2016-06-14 US disclosed
US-8784871-B2 Nitrooxy alkanoic acids and derivatives thereof in feed for reducing methane emission in ruminants, and/or to improve ruminant performance DSM IP ASSETS B.V. (NL) 2014-07-22 US disclosed
US-20140134282-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2014-05-15 US disclosed
EP-2509435-B1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS BV (NL) 2014-02-26 EP disclosed
US-20120315339-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2012-12-13 US disclosed
EP-2509435-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2012-10-17 EP disclosed
WO-2011070133-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2011-06-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140134282-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE PIGS, TECR, CYP4X1 PTGS1 741/4885PTGS2 788/4885GSR 85/4885
US-20120315339-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE PIGS, TECR, CYP4X1 PTGS1 741/4885PTGS2 788/4885GSR 85/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.