Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.80 |
| ▸ | MAOB | P27338 | 5/20 | 0.71 |
| ▸ | MAOA | P21397 | 4/20 | 0.71 |
| ▸ | POLB | P06746 | 1/20 | 0.71 |
| ▸ | RAB9A | P51151 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.68 |
| ▸ | HPGD | P15428 | 2/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.68 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.67 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.67 |
| ▸ | PKM | P14618 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | ATM | Q13315 | 2/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.58 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| 4,4'-Dimethylchalcone SCHEMBL979559 | 0.89 | MAPT (1.00) | MAPTMAOBMAOAPOLBRAB9A | |
| 4,4'-Dimethylchalcone SCHEMBL979560 | 0.89 | MAPT (1.00) | MAPTMAOBMAOAPOLBRAB9A | |
| SCHEMBL29040029 | 0.85 | ESR1 (0.73) | MAPTMAOBMAOAPOLBALDH1A1 | |
| SCHEMBL9338462 | 0.85 | MAPT (0.83) | MAPTMAOBMAOAPOLBRAB9A | |
| SCHEMBL1980182 | 0.85 | HDAC1 (0.73) | MAPTMAOBMAOARAB9AALDH1A1 | |
| SCHEMBL1980181 | 0.85 | HDAC1 (0.73) | MAPTMAOBMAOARAB9AALDH1A1 | |
| SCHEMBL22198763 | 0.85 | MAPT (0.83) | MAPTMAOBMAOAPOLBRAB9A | |
| SCHEMBL28727144 | 0.85 | MAPT (0.83) | MAPTMAOBMAOAPOLBRAB9A | |
| SCHEMBL14308124 | 0.85 | MAPT (0.83) | MAPTMAOBMAOAPOLBRAB9A | |
| SCHEMBL22099225 | 0.84 | MAPT (0.89) | MAPTMAOBMAOAPOLBRAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116496179-B | HDAC6 inhibitor containing chalcone structure, and preparation method and application thereof | 合肥工业大学 | 2024-10-29 | — | — | CN | disclosed |
| CN-116496179-A | HDAC6 inhibitor containing chalcone structure, and preparation method and application thereof | 合肥工业大学 | 2023-07-28 | — | — | CN | disclosed |