Creatine

Creatine

SCHEMBL5422993

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

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
HRH1 P35367 1/20 0.41
CYP2C19 P33261 2/20 0.39
RECQL P46063 1/20 0.39
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
MVD P53602 2/20 0.35
SLC25A20 O43772 3/20 0.35
TP53 P04637 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
SLC6A5 Q9Y345 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35

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
Creatine SCHEMBL5422996 1.00 MEN1 (0.41) MEN1KMT2ACYP1A2HRH1CYP2C19
Propionyl-Carnitine SCHEMBL27583440 0.84 MEN1 (0.60) MEN1KMT2ACYP1A2HRH1CYP2C19
Carnitine SCHEMBL27500124 0.83 SLC22A16 (0.51) MEN1KMT2ACYP1A2HRH1CYP2C19
Propionyl-Carnitine SCHEMBL4279796 0.81 MEN1 (0.65) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL792920 0.81 MEN1 (0.59) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL10768152 0.81 MEN1 (0.59) MEN1KMT2ACYP1A2HRH1CYP2C19
Propionyl-Carnitine SCHEMBL27583438 0.81 MEN1 (0.64) MEN1KMT2ACYP1A2HRH1CYP2C19
Carnitine SCHEMBL4284339 0.80 SLC22A16 (0.57) MEN1KMT2ACYP1A2HRH1CYP2C19
Carnitine SCHEMBL27500714 0.79 SLC22A16 (0.56) MEN1KMT2ACYP1A2HRH1CYP2C19
Creatine SCHEMBL5423002 0.79 MEN1 (0.44) MEN1KMT2ACYP1A2HRH1CYP2C19

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
US-20070072910-A1 Compositions and methods for lowering plasma concentrations of low density lipoproteins in humans NEXGEN PHARMA, INC. 2007-03-29 US claimed
US-20070072910-A1 Compositions and methods for lowering plasma concentrations of low density lipoproteins in humans NEXGEN PHARMA, INC. 2007-03-29 US disclosed