Acetylcarnitine

Acetylcarnitine

SCHEMBL27934793

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

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACES1PR1S1PR4S1PR5

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
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ HRH1 P35367 1/20 0.55
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP2C19 P33261 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ SLC25A20 O43772 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ SLC6A5 Q9Y345 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ HIF1A Q16665 1/20 0.40

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 SCHEMBL620955 1.00 MEN1 (0.55) MEN1KMT2ACYP1A2HRH1LMNA
Acetylcarnitine SCHEMBL948558 0.99 MEN1 (0.56) MEN1KMT2ACYP1A2HRH1LMNA
SCHEMBL15549471 0.85 MEN1 (0.48) MEN1KMT2ACYP1A2HRH1CYP2C19
Arginine SCHEMBL27492468 0.84 SLC22A16 (0.49) MEN1KMT2ACYP2C19MAPTCPT2
Arginine SCHEMBL27902011 0.83 SLC22A16 (0.50) MEN1KMT2ACYP2C19MAPTCPT2
Acetylcarnitine SCHEMBL5429939 0.83 MEN1 (0.65) MEN1KMT2ACYP1A2HRH1LMNA
Acetylcarnitine SCHEMBL5429930 0.83 MEN1 (0.65) MEN1KMT2ACYP1A2HRH1LMNA
Acetylcarnitine SCHEMBL6634467 0.82 KMT2A (0.63) MEN1KMT2ACYP1A2HRH1LMNA
Acetylcarnitine SCHEMBL6634470 0.82 KMT2A (0.63) MEN1KMT2ACYP1A2HRH1LMNA
Acetylcarnitine SCHEMBL2322752 0.82 MEN1 (0.63) MEN1KMT2ACYP1A2HRH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110559265-A preparation method of acetyl L-carnitine arginine dihydrochloride moisture-proof particles 辽宁科硕营养科技股份有限公司 2019-12-13 — — CN claimed
CN-110559265-A preparation method of acetyl L-carnitine arginine dihydrochloride moisture-proof particles 辽宁科硕营养科技股份有限公司 2019-12-13 — — CN disclosed
CN-103491954-A Use of L-carnitine, salts and derivatives thereof for reducing or preventing fatigue and improving cognitive function LONZA AG 2014-01-01 — — CN disclosed
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