Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Butyryl-Carnitine. 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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.69 |
| ▸ | LMNA | P02545 | 4/20 | 0.69 |
| ▸ | MAPT | P10636 | 4/20 | 0.69 |
| ▸ | MEN1 | O00255 | 4/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.69 |
| ▸ | GMNN | O75496 | 3/20 | 0.69 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.69 |
| ▸ | TP53 | P04637 | 3/20 | 0.69 |
| ▸ | TSHR | P16473 | 3/20 | 0.69 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.69 |
| ▸ | BLM | P54132 | 2/20 | 0.69 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.69 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.69 |
| ▸ | GLA | P06280 | 1/20 | 0.68 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | SLC25A20 | O43772 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Butyryl-Carnitine SCHEMBL12137158 | 0.94 | CYP1A2 (0.79) | CYP1A2MAPK1LMNAMAPTMEN1 | |
| Butyryl-Carnitine SCHEMBL12283483 | 0.94 | CYP1A2 (0.79) | CYP1A2MAPK1LMNAMAPTMEN1 | |
| Butyryl-Carnitine SCHEMBL28712507 | 0.92 | CYP1A2 (0.77) | CYP1A2MAPK1LMNAMAPTMEN1 | |
| Butyryl-Carnitine SCHEMBL3902301 | 0.92 | CYP1A2 (0.77) | CYP1A2MAPK1LMNAMAPTMEN1 | |
| Butyryl-Carnitine SCHEMBL28900550 | 0.87 | MEN1 (0.70) | CYP1A2MAPK1LMNAMAPTMEN1 | |
| Butyryl-Carnitine SCHEMBL25274079 | 0.85 | CYP1A2 (0.68) | CYP1A2MAPK1LMNAMAPTMEN1 | |
| SCHEMBL12137162 | 0.84 | CYP1A2 (0.91) | CYP1A2MAPK1LMNAMAPTMEN1 | |
| Hydrochloric Acid SCHEMBL8617151 | 0.83 | MAPK1 (0.89) | CYP1A2MAPK1LMNAMAPTMEN1 | |
| Hydrochloric Acid SCHEMBL8617144 | 0.83 | MAPK1 (0.89) | CYP1A2MAPK1LMNAMAPTMEN1 | |
| SCHEMBL21594810 | 0.83 | CYP1A2 (1.00) | CYP1A2MAPK1LMNAMAPTMEN1 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111406216-A | Compounds, reagents and uses thereof | 麦特博隆股份有限公司 | 2020-07-10 | — | — | CN | disclosed |