Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | HPSE | Q9Y251 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30498924 | 1.00 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP2D6HPGDCYP2C19 | |
| SCHEMBL29033612 | 0.90 | CYP1A2 (0.48) | ALDH1A1CYP1A2CYP2C19CHEK2BRD4 | |
| SCHEMBL30498919 | 0.90 | CYP1A2 (0.48) | ALDH1A1CYP1A2CYP2C19CHEK2BRD4 | |
| SCHEMBL30498918 | 0.90 | CYP1A2 (0.48) | ALDH1A1CYP1A2CYP2C19CHEK2BRD4 | |
| SCHEMBL29033631 | 0.88 | BRD4 (0.43) | ALDH1A1CYP1A2CYP2C19BRD4MAPT | |
| SCHEMBL29033619 | 0.88 | TUBB1 (0.53) | ALDH1A1BRD4HDAC3APPACHE | |
| SCHEMBL30498908 | 0.88 | TUBB1 (0.53) | ALDH1A1BRD4HDAC3APPACHE | |
| SCHEMBL30498922 | 0.87 | BRD4 (0.42) | ALDH1A1CYP1A2CYP2C19BRD4HDAC3 | |
| SCHEMBL29033617 | 0.87 | MAPK1 (0.44) | ALDH1A1HPGDBRD4MAPTHDAC3 | |
| SCHEMBL29033621 | 0.87 | BRD4 (0.42) | ALDH1A1CYP1A2CYP2C19BRD4HDAC3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116444443-A | Benzoyl-quinazolinone derivative, and preparation method and application thereof | 广东省中医院（广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院） | 2023-07-18 | — | — | CN | disclosed |