Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 6/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29206844 | 1.00 | P2RX7 (0.43) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29206863 | 0.76 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL29206855 | 0.73 | SLC6A2 (0.41) | ALDH1A1CYP1A2CYP3A4CYP2C19HPGD | |
| SCHEMBL29206846 | 0.69 | HPGD (0.44) | ALDH1A1CYP1A2HPGDKDM4E | |
| SCHEMBL29206819 | 0.69 | ALDH1A1 (0.45) | ALDH1A1HPGD | |
| SCHEMBL12562088 | 0.68 | P2RX7 (0.56) | P2RX7ALDH1A1CYP3A4KDM4ENAPRT | |
| SCHEMBL29206849 | 0.68 | ALDH1A1 (0.50) | ALDH1A1KDM4E | |
| SCHEMBL29206845 | 0.68 | TPMT (0.34) | ALDH1A1 | |
| SCHEMBL29206821 | 0.68 | ESRRG (0.41) | ALDH1A1KDM4E | |
| SCHEMBL6644379 | 0.68 | P2RX7 (0.56) | P2RX7ALDH1A1HCRTR1HCRTR2HPGD |
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-118005641-A | Preparation method of quinazolinone compound | 昆明理工大学 | 2024-05-10 | — | — | CN | disclosed |