Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.75 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.72 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28693964 | 1.00 | GAA (0.75) | GAAL3MBTL1MAOBMAPTALDH1A1 | |
| SCHEMBL28706034 | 1.00 | GAA (0.75) | GAAL3MBTL1MAOBMAPTALDH1A1 | |
| SCHEMBL2603390 | 0.98 | L3MBTL1 (0.74) | GAAL3MBTL1MAOBMAPTALDH1A1 | |
| SCHEMBL11456703 | 0.94 | L3MBTL1 (0.71) | GAAL3MBTL1MAOBMAPTALDH1A1 | |
| SCHEMBL4275826 | 0.90 | HDAC1 (0.56) | GAAL3MBTL1MAPTALDH1A1HTT | |
| SCHEMBL14385137 | 0.89 | L3MBTL1 (0.68) | GAAL3MBTL1MAOBMAPTALDH1A1 | |
| SCHEMBL9329263 | 0.88 | TSHR (0.67) | GAAHTTTP53TSHRPLA2G4B | |
| SCHEMBL26089107 | 0.88 | TSHR (0.67) | GAAHTTTP53TSHRPLA2G4B | |
| SCHEMBL4209773 | 0.88 | TSHR (0.67) | GAAHTTTP53TSHRPLA2G4B | |
| SCHEMBL4262672 | 0.88 | MAPT (0.70) | GAAL3MBTL1MAPTALDH1A1HTT |
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-114075187-B | Carbonyl pyrazole antitumor compound as well as preparation method and application thereof | 山东大学 | 2023-05-12 | — | — | CN | disclosed |
| CN-114075187-A | Carbonyl pyrazole anti-tumor compound and preparation method and application thereof | 山东大学 | 2022-02-22 | — | — | CN | disclosed |