Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR7 | Q9NYK1 | 9/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL24732756 | 1.00 | TLR7 (0.56) | TLR7HRH3MEN1ALDH1A1CYP1A2 | |
| SCHEMBL24732895 | 0.99 | TLR7 (0.55) | TLR7HRH3MEN1ALDH1A1CYP1A2 | |
| SCHEMBL24732576 | 0.94 | TLR7 (0.51) | TLR7MEN1ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL29809227 | 0.94 | TLR7 (0.51) | TLR7MEN1ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL24732757 | 0.93 | TLR7 (0.50) | TLR7HRH3MEN1ALDH1A1CYP1A2 | |
| SCHEMBL29808892 | 0.93 | TLR7 (0.50) | TLR7HRH3MEN1ALDH1A1CYP1A2 | |
| SCHEMBL24732777 | 0.92 | TLR7 (0.52) | TLR7HRH3ALDH1A1TLR8 | |
| SCHEMBL24732879 | 0.90 | TLR7 (0.48) | TLR7MEN1ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL24732829 | 0.90 | TLR7 (0.48) | TLR7MEN1ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL24732771 | 0.90 | TLR7 (0.45) | TLR7HRH3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117736210-A | Aromatic heterocyclic compound, and preparation method and application thereof | 上海翊石医药科技有限公司 | 2024-03-22 | — | — | CN | disclosed |
| CN-114805341-B | Aromatic heterocyclic compound, and preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-114805341-A | Aromatic heterocyclic compounds and preparation method and application thereof | 上海翊石医药科技有限公司 | 2022-07-29 | — | — | CN | disclosed |