Carnitine

Carnitine

SCHEMBL15322671

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

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A16 Q86VW1 1/20 0.53
MAPT P10636 1/20 0.41
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
HRH1 P35367 1/20 0.36
CRAT P43155 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CA1 P00915 8/20 0.32
CA2 P00918 8/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30

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
Carnitine SCHEMBL4284339 0.96 SLC22A16 (0.57) SLC22A16MAPTCPT2CPT1AMEN1
Carnitine SCHEMBL27500714 0.95 SLC22A16 (0.56) SLC22A16MAPTCPT2CPT1AMEN1
Carnitine SCHEMBL27500124 0.91 SLC22A16 (0.51) SLC22A16MAPTCPT2CPT1AMEN1
Creatine SCHEMBL15322407 0.77 MEN1 (0.45) SLC22A16MAPTMEN1KMT2ACYP1A2
Fosfocreatine SCHEMBL4277995 0.77 SLC22A16 (0.50) SLC22A16MAPTCPT2CPT1AMEN1
Propionyl-Carnitine SCHEMBL4279796 0.77 MEN1 (0.65) MAPTCPT2CPT1AMEN1KMT2A
Creatine SCHEMBL5422993 0.77 MEN1 (0.41) SLC22A16MAPTCPT2CPT1AMEN1
Creatine SCHEMBL27865596 0.76 NOS3 (0.43) NOS3NOS1NOS2CA1CA2
Fosfocreatine SCHEMBL4277999 0.76 SLC22A16 (0.49) SLC22A16MAPTCPT2CPT1AMEN1
Creatine SCHEMBL4137956 0.75 NOS3 (0.41) NOS3NOS1NOS2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2836832-A1 EARLY TRIMESTER SCREENING FOR EARLY- AND LATE-ONSET PREECLAMPSIA Wayne State University (US) 2015-02-18 EP disclosed
WO-2013155458-A1 EARLY TRIMESTER SCREENING FOR EARLY- AND LATE-ONSET PREECLAMPSIA WAYNE STATE UNIVERSITY (US) 2013-10-17 WO disclosed