Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28633176 | 0.88 | CYP19A1 (0.41) | CYP51A1KDM4ECYP3A4CYP2D6CYP2C19 | |
| SCHEMBL9603648 | 0.85 | ALDH1A1 (0.45) | CYP51A1ALDH1A1POLBMAPTNAAA | |
| 1-(4-Pyridyl)-1-Butanol SCHEMBL13909751 | 0.76 | CYP51A1 (0.43) | CYP51A1ALDH1A1POLBMAPTKDM4E | |
| 1-(4-Pyridyl)-1-Butanol SCHEMBL4956036 | 0.76 | CYP51A1 (0.43) | CYP51A1ALDH1A1POLBMAPTKDM4E | |
| SCHEMBL25314645 | 0.76 | LMNA (0.60) | CYP51A1ALDH1A1POLBMAPTKDM4E | |
| SCHEMBL294423 | 0.76 | LMNA (0.60) | CYP51A1ALDH1A1POLBMAPTKDM4E | |
| 1-(4-Pyridyl)-1-Butanol SCHEMBL8606540 | 0.75 | CYP51A1 (0.42) | CYP51A1ALDH1A1POLBMAPTKDM4E | |
| SCHEMBL20819405 | 0.74 | ALDH1A1 (0.50) | ALDH1A1POLBMAPTNAAAKDM4E | |
| SCHEMBL28651451 | 0.73 | CSNK1E (0.41) | ALDH1A1POLBMAPTNAAAKDM4E | |
| Octane SCHEMBL28263947 | 0.72 | MAPT (0.47) | ALDH1A1POLBMAPTNAAACYP3A4 |
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-108484487-B | Antibacterial (methyl) acrylate monomer containing quaternary pyridinium salt and carbamate structure and preparation method and application thereof | 华南理工大学 | 2021-10-22 | — | — | CN | disclosed |