Known targets — ChEMBL curated mechanism
PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA
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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | HRH1 | P35367 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | GSR | P00390 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | SLC25A20 | O43772 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetylcarnitine SCHEMBL2322756 | 0.99 | MEN1 (0.65) | MEN1KMT2ACYP1A2HRH1LMNA | |
| Acetylcarnitine SCHEMBL5429939 | 0.96 | MEN1 (0.65) | MEN1KMT2ACYP1A2HRH1LMNA | |
| Acetylcarnitine SCHEMBL5429930 | 0.96 | MEN1 (0.65) | MEN1KMT2ACYP1A2HRH1LMNA | |
| Acetylcarnitine SCHEMBL6635550 | 0.86 | CYP1A2 (0.65) | MEN1KMT2ACYP1A2HRH1LMNA | |
| Acetylcarnitine SCHEMBL6635547 | 0.86 | CYP1A2 (0.65) | MEN1KMT2ACYP1A2HRH1LMNA | |
| Acetylcarnitine SCHEMBL6634467 | 0.85 | KMT2A (0.63) | MEN1KMT2ACYP1A2HRH1LMNA | |
| Acetylcarnitine SCHEMBL6634470 | 0.85 | KMT2A (0.63) | MEN1KMT2ACYP1A2HRH1LMNA | |
| Acetylcarnitine SCHEMBL7536313 | 0.85 | CYP1A2 (0.67) | MEN1KMT2ACYP1A2HRH1LMNA | |
| Acetylcarnitine SCHEMBL7536321 | 0.85 | CYP1A2 (0.67) | MEN1KMT2ACYP1A2HRH1LMNA | |
| Acetylcarnitine SCHEMBL6634229 | 0.85 | MEN1 (0.70) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3362071-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | Grünenthal GmbH (DE) | 2018-08-22 | — | — | EP | disclosed |
| WO-2017049294-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | THAR PHARMACEUTICALS, INC. (US) | 2017-03-23 | — | — | WO | disclosed |
| WO-2011097269-A9 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | THAR PHARMACEUTICALS, INC. (US) | 2012-12-27 | — | — | WO | disclosed |
| EP-2531200-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | Thar Pharmaceuticals, Inc. (US) | 2012-12-12 | — | — | EP | disclosed |
| WO-2011097269-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | THAR PHARMACEUTICALS, INC. (US) | 2011-08-11 | — | — | WO | disclosed |