Carnitine

Carnitine

SCHEMBL994915

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

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
CYP2C19 P33261 2/20 0.65
RECQL P46063 1/20 0.65
SLC22A16 Q86VW1 1/20 0.61
CYP1A2 P05177 3/20 0.59
HRH1 P35367 1/20 0.59
SLC25A20 O43772 3/20 0.56
TP53 P04637 3/20 0.56
TSHR P16473 3/20 0.56
CYP2D6 P10635 2/20 0.56
SLC6A5 Q9Y345 2/20 0.56
MAPT P10636 2/20 0.56
CYP2C9 P11712 2/20 0.56
HIF1A Q16665 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP3A4 P08684 1/20 0.56
NFKB1 P19838 1/20 0.56
THPO P40225 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL31011113 0.95 MEN1 (0.71) MEN1KMT2ACYP2C19RECQLSLC22A16
SCHEMBL30513874 0.95 MEN1 (0.71) MEN1KMT2ACYP2C19RECQLSLC22A16
SCHEMBL288495 0.95 MEN1 (0.71) MEN1KMT2ACYP2C19RECQLSLC22A16
Propionyl-Carnitine SCHEMBL583770 0.86 MEN1 (0.88) MEN1KMT2ACYP2C19RECQLSLC22A16
SCHEMBL994842 0.85 MEN1 (0.57) MEN1KMT2ACYP2C19RECQLSLC22A16
SCHEMBL464880 0.84 MEN1 (0.73) MEN1KMT2ACYP2C19RECQLSLC22A16
SCHEMBL16238330 0.84 MEN1 (0.73) MEN1KMT2ACYP2C19RECQLSLC22A16
SCHEMBL232682 0.84 MEN1 (0.73) MEN1KMT2ACYP2C19RECQLSLC22A16
SCHEMBL16859894 0.83 MEN1 (0.71) MEN1KMT2ACYP2C19RECQLSLC22A16
SCHEMBL30012575 0.83 MEN1 (0.71) MEN1KMT2ACYP2C19RECQLSLC22A16

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
EP-2449488-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES Life Sciences AG (AT) 2012-05-09 EP claimed
WO-2011000753-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES LIFE SCIENCES AG (AT) 2011-01-06 WO claimed
EP-2449488-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES Life Sciences AG (AT) 2012-05-09 EP disclosed
WO-2011000753-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES LIFE SCIENCES AG (AT) 2011-01-06 WO disclosed