Acetylcarnitine

Acetylcarnitine

SCHEMBL4749513

CC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Ca+2]

nearest known ligand 0.93

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Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Acetylcarnitine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.93
SMN1; SMN2 Q16637 2/20 0.93
CYP1A2 P05177 4/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
HRH1 P35367 1/20 0.68
MAPT P10636 5/20 0.55
MAPK1 P28482 4/20 0.55
GMNN O75496 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
BLM P54132 3/20 0.55
HSP90AA1 P07900 2/20 0.55
NR1H4 Q96RI1 2/20 0.55
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
CYP2C9 P11712 1/20 0.55
HIF1A Q16665 1/20 0.55
GLA P06280 1/20 0.54
PMP22 Q01453 1/20 0.54
CHRM2 P08172 1/20 0.52

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
Acetylcarnitine SCHEMBL2515409 1.00 LMNA (0.93) LMNASMN1; SMN2CYP1A2MEN1KMT2A
Acetylcarnitine SCHEMBL13323920 0.98 LMNA (0.96) LMNASMN1; SMN2CYP1A2MEN1KMT2A
Acetylcarnitine SCHEMBL7079427 0.98 LMNA (0.96) LMNASMN1; SMN2CYP1A2MEN1KMT2A
Acetylcarnitine SCHEMBL3259109 0.98 LMNA (0.96) LMNASMN1; SMN2CYP1A2MEN1KMT2A
Acetylcarnitine SCHEMBL3004012 0.96 LMNA (0.93) LMNASMN1; SMN2CYP1A2MEN1KMT2A
Acetylcarnitine SCHEMBL2639482 0.96 LMNA (1.00) LMNASMN1; SMN2CYP1A2MEN1KMT2A
Acetylcarnitine SCHEMBL20721036 0.96 LMNA (0.93) LMNASMN1; SMN2CYP1A2MEN1KMT2A
Acetylcarnitine SCHEMBL28744378 0.96 LMNA (0.93) LMNASMN1; SMN2CYP1A2MEN1KMT2A
Acetylcarnitine SCHEMBL29376874 0.96 LMNA (1.00) LMNASMN1; SMN2CYP1A2MEN1KMT2A
Acetylcarnitine SCHEMBL27571008 0.96 LMNA (0.93) LMNASMN1; SMN2CYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008115915-A2 NON-HYGROSCOPIC L-CARNITINE SALTS BIOLINK LIFE SCIENCES, INC. (US) 2008-09-25 WO disclosed