Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.98 |
| ▸ | TLR7 | Q9NYK1 | 13/20 | 0.55 |
| ▸ | IL6 | P05231 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL20210107 | 1.00 | CYP3A4 (1.00) | CYP3A4CYP2D6TLR7IL6TSHR | |
| SCHEMBL20210102 | 0.99 | CYP3A4 (1.00) | CYP3A4CYP2D6TLR7IL6TSHR | |
| Hydrochloric Acid SCHEMBL23234423 | 0.99 | CYP3A4 (0.98) | CYP3A4CYP2D6TLR7IL6TSHR | |
| Hydrochloric Acid SCHEMBL23234422 | 0.99 | CYP3A4 (0.98) | CYP3A4CYP2D6TLR7IL6TSHR | |
| SCHEMBL20210101 | 0.98 | CYP3A4 (1.00) | CYP3A4CYP2D6TLR7IL6TSHR | |
| SCHEMBL20210108 | 0.92 | CYP3A4 (1.00) | CYP3A4CYP2D6TLR7IL6TLR8 | |
| SCHEMBL21482063 | 0.91 | CYP3A4 (0.84) | CYP3A4CYP2D6TLR7IL6 | |
| SCHEMBL20209845 | 0.91 | CYP3A4 (1.00) | CYP3A4CYP2D6TLR7IL6TLR8 | |
| SCHEMBL20209842 | 0.90 | CYP3A4 (0.96) | CYP3A4CYP2D6TLR7IL6TLR8 | |
| SCHEMBL20209833 | 0.90 | CYP3A4 (0.81) | CYP3A4CYP2D6TLR7TLR8 |
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-112513039-B | TLR7 agonist prodrug, preparation method thereof and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2023-01-24 | — | — | CN | disclosed |