Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Methyl 4-Pyridylketone. 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 | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.48 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Methyl 4-Pyridylketone SCHEMBL28979293 | 0.91 | NAPRT (0.56) | NAPRTKMT2AMEN1ALDH1A1HPGD | |
| Acetophenone SCHEMBL27936851 | 0.89 | MAPT (0.56) | NAPRTKMT2AMEN1ALDH1A1HPGD | |
| Methyl 4-Pyridylketone SCHEMBL55235 | 0.89 | — | — | |
| Methyl 4-Pyridylketone SCHEMBL27911491 | 0.86 | NAPRT (0.56) | NAPRTKMT2AMEN1ALDH1A1HPGD | |
| Methyl 4-Pyridylketone SCHEMBL27924145 | 0.84 | NAPRT (0.54) | NAPRTKMT2AMEN1ALDH1A1HPGD | |
| Methyl 4-Pyridylketone SCHEMBL28197397 | 0.84 | NAPRT (0.54) | NAPRTKMT2AMEN1ALDH1A1HPGD | |
| Methyl 4-Pyridylketone SCHEMBL28826915 | 0.84 | NAPRT (0.54) | NAPRTKMT2AMEN1ALDH1A1HPGD | |
| Pyridine SCHEMBL28422777 | 0.83 | SMN1; SMN2 (0.55) | KMT2AMEN1ALDH1A1HPGDMAPT | |
| Pyridine SCHEMBL28960889 | 0.82 | CA5A (0.46) | NAPRTKMT2AMEN1ALDH1A1HPGD | |
| Pyridine SCHEMBL27540684 | 0.82 | LTA4H (0.55) | KMT2AALDH1A1HPGDMAPTSMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109180709-B | (-) -2- (4' -pyridyl) -4, 5-pinene-pyridine hexafluoroacetylacetone copper complex and preparation method thereof | 郑州轻工业学院 | 2021-01-29 | — | — | CN | claimed |
| CN-109180708-B | Acetate bridged chiral binuclear copper complex and preparation method thereof | 郑州轻工业学院 | 2020-12-25 | — | — | CN | claimed |
| CN-109232616-B | (-) -2- (4' -pyridyl) -4, 5-pinene-pyridine chiral silver complex and preparation method thereof | 郑州轻工业学院 | 2020-12-22 | — | — | CN | claimed |
| CN-109096248-B | (-) -2- (4' -pyridyl) -4, 5-pinene-pyridine chiral cobalt (II) complex and preparation method thereof | 郑州轻工业学院 | 2020-05-29 | — | — | CN | claimed |
| CN-109180709-B | (-) -2- (4' -pyridyl) -4, 5-pinene-pyridine hexafluoroacetylacetone copper complex and preparation method thereof | 郑州轻工业学院 | 2021-01-29 | — | — | CN | disclosed |
| CN-109180708-B | Acetate bridged chiral binuclear copper complex and preparation method thereof | 郑州轻工业学院 | 2020-12-25 | — | — | CN | disclosed |
| CN-109232616-B | (-) -2- (4' -pyridyl) -4, 5-pinene-pyridine chiral silver complex and preparation method thereof | 郑州轻工业学院 | 2020-12-22 | — | — | CN | disclosed |
| CN-109096248-B | (-) -2- (4' -pyridyl) -4, 5-pinene-pyridine chiral cobalt (II) complex and preparation method thereof | 郑州轻工业学院 | 2020-05-29 | — | — | CN | disclosed |