Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | CASP7 | P55210 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.58 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16051996 | 0.92 | CYP1A2 (0.70) | CYP1A2SMN1; SMN2MAPTTP53CYP3A4 | |
| SCHEMBL16051995 | 0.92 | CYP1A2 (0.70) | CYP1A2SMN1; SMN2MAPTTP53CYP3A4 | |
| SCHEMBL24634152 | 0.88 | ESR1 (0.67) | CYP1A2SMN1; SMN2MAPTTP53CYP3A4 | |
| SCHEMBL23082321 | 0.87 | CYP1A2 (0.64) | CYP1A2SMN1; SMN2MAPTTP53CYP3A4 | |
| SCHEMBL23082314 | 0.87 | CYP1A2 (0.64) | CYP1A2SMN1; SMN2MAPTTP53CYP3A4 | |
| SCHEMBL25194461 | 0.86 | F3 (0.74) | CYP1A2SMN1; SMN2MAPTTP53CYP3A4 | |
| SCHEMBL8459973 | 0.86 | MAPT (0.78) | CYP1A2SMN1; SMN2MAPTTP53CYP3A4 | |
| SCHEMBL9338099 | 0.86 | MAPT (0.77) | CYP1A2SMN1; SMN2MAPTTP53CYP3A4 | |
| SCHEMBL28480168 | 0.86 | MAPT (0.77) | CYP1A2SMN1; SMN2MAPTTP53CYP3A4 | |
| SCHEMBL25265004 | 0.86 | F3 (0.74) | CYP1A2SMN1; SMN2MAPTTP53CYP3A4 |
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 |