Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F3 | P13726 | 2/20 | 0.82 |
| ▸ | MAOB | P27338 | 9/20 | 0.76 |
| ▸ | MAPT | P10636 | 4/20 | 0.76 |
| ▸ | MAOA | P21397 | 4/20 | 0.76 |
| ▸ | NPC1 | O15118 | 1/20 | 0.76 |
| ▸ | LMNA | P02545 | 1/20 | 0.76 |
| ▸ | XDH | P47989 | 2/20 | 0.73 |
| ▸ | MEN1 | O00255 | 2/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.73 |
| ▸ | P4HB | P07237 | 1/20 | 0.73 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.73 |
| ▸ | RAB9A | P51151 | 1/20 | 0.73 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.70 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.70 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.70 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.70 |
| ▸ | BCHE | P06276 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.70 |
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'-Dimethoxychalcone SCHEMBL978243 | 0.91 | F3 (1.00) | F3MAOBMAPTMAOANPC1 | |
| 4,4'-Dimethoxychalcone SCHEMBL978242 | 0.91 | F3 (1.00) | F3MAOBMAPTMAOANPC1 | |
| SCHEMBL1321123 | 0.88 | HDAC3 (0.82) | F3MAOBMAPTMAOANPC1 | |
| SCHEMBL1321125 | 0.88 | HDAC3 (0.82) | F3MAOBMAPTMAOANPC1 | |
| SCHEMBL9818339 | 0.86 | MAOB (1.00) | F3MAOBMAPTMAOANPC1 | |
| SCHEMBL3469283 | 0.86 | MAOB (1.00) | F3MAOBMAPTMAOANPC1 | |
| SCHEMBL5058785 | 0.86 | MAOB (1.00) | F3MAOBMAPTMAOANPC1 | |
| SCHEMBL6323431 | 0.86 | MAOB (1.00) | F3MAOBMAPTMAOANPC1 | |
| SCHEMBL25189143 | 0.84 | MAPT (1.00) | F3MAOBMAPTMAOANPC1 | |
| SCHEMBL25194802 | 0.84 | MAPT (1.00) | F3MAOBMAPTMAOANPC1 |
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 |