Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.80 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.69 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.69 |
| ▸ | MAOB | P27338 | 5/20 | 0.61 |
| ▸ | MAOA | P21397 | 2/20 | 0.61 |
| ▸ | CTSL | P07711 | 1/20 | 0.58 |
| ▸ | CTSB | P07858 | 1/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.56 |
| ▸ | F3 | P13726 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | MET | P08581 | 2/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.55 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7196521 | 0.89 | TNFRSF1A (1.00) | TNFRSF1ACYP1A1CYP1B1MAOBMAOA | |
| SCHEMBL5593308 | 0.89 | TNFRSF1A (1.00) | TNFRSF1ACYP1A1CYP1B1MAOBMAOA | |
| SCHEMBL29040029 | 0.85 | ESR1 (0.73) | TNFRSF1ACYP1B1MAOBMAOAHDAC1 | |
| SCHEMBL22198827 | 0.85 | TNFRSF1A (0.83) | TNFRSF1ACYP1A1CYP1B1MAOBMAOA | |
| SCHEMBL1980182 | 0.85 | HDAC1 (0.73) | TNFRSF1ACYP1A1CYP1B1MAOBMAOA | |
| SCHEMBL28562526 | 0.85 | TNFRSF1A (0.83) | TNFRSF1ACYP1A1CYP1B1MAOBMAOA | |
| SCHEMBL1980181 | 0.85 | HDAC1 (0.73) | TNFRSF1ACYP1A1CYP1B1MAOBMAOA | |
| SCHEMBL31554987 | 0.85 | TNFRSF1A (0.83) | TNFRSF1ACYP1A1CYP1B1MAOBMAOA | |
| SCHEMBL14033268 | 0.84 | TNFRSF1A (0.89) | TNFRSF1ACYP1A1CYP1B1MAOBMAOA | |
| SCHEMBL29039986 | 0.83 | MAPT (0.80) | TNFRSF1ACYP1A1CYP1B1MAOBMAOA |
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 |