Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F3 | P13726 | 4/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.65 |
| ▸ | TYR | P14679 | 2/20 | 0.65 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.65 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.52 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 2/20 | 0.51 |
| ▸ | BACE1 | P56817 | 2/20 | 0.51 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | PKM | P14618 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11999794 | 0.88 | MAPT (0.68) | F3CYP2D6CYP2C9HSP90AA1MAPT | |
| SCHEMBL3216593 | 0.88 | AKR1B10 (0.67) | HSP90AA1GSK3BBACE1AKR1B10AKR1B1 | |
| SCHEMBL3216578 | 0.88 | AKR1B10 (0.67) | HSP90AA1GSK3BBACE1AKR1B10AKR1B1 | |
| Hydrochloric Acid SCHEMBL11971239 | 0.87 | MAPT (0.66) | F3CYP2D6CYP2C9HSP90AA1MAPT | |
| Hydrochloric Acid SCHEMBL11971243 | 0.87 | MAPT (0.66) | F3CYP2D6CYP2C9HSP90AA1MAPT | |
| SCHEMBL30317323 | 0.86 | NPC1 (0.62) | F3CYP2D6CYP2C9HSP90AA1MAPT | |
| SCHEMBL11999774 | 0.86 | NPC1 (0.62) | F3CYP2D6CYP2C9HSP90AA1MAPT | |
| SCHEMBL7802342 | 0.83 | KMT2A (0.64) | CYP2D6CYP2C9MAPTALDH1A1LMNA | |
| SCHEMBL9605431 | 0.83 | KMT2A (0.64) | CYP2D6CYP2C9MAPTALDH1A1LMNA | |
| SCHEMBL10053044 | 0.81 | F3 (0.83) | F3CYP2D6CYP2C9TYRHSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108530435-B | Quinoxaline-containing 1, 4-pentadiene-3-ketone derivative, preparation method and application | 贵州大学 | 2021-08-17 | — | — | CN | disclosed |
| CN-108822045-B | Quinazoline-containing 1, 4-pentadiene-3-ketoxime ether derivative, preparation method and application | 贵州大学 | 2021-06-08 | — | — | CN | disclosed |
| CN-107056687-B | Pyridine group-containing 1, 4-pentadiene-3-ketoxime ester compound, preparation method and application | 贵州大学 | 2020-06-30 | — | — | CN | disclosed |
| CN-108530427-B | Quinazoline-containing 1, 4-pentadiene-3-ketoxime ether derivative, and preparation method and application thereof | 贵州大学 | 2020-05-08 | — | — | CN | disclosed |
| CN-106928176-B | Coumarin-containing 1, 4-pentadiene-3-ketone derivative and preparation method and application thereof | 贵州大学 | 2020-02-18 | — | — | CN | disclosed |