Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.63 |
| ▸ | TLR7 | Q9NYK1 | 14/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | IL6 | P05231 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21482074 | 1.00 | CYP3A4 (0.64) | CYP3A4CYP2D6TLR7TLR8IL6 | |
| SCHEMBL21482073 | 1.00 | CYP3A4 (0.64) | CYP3A4CYP2D6TLR7TLR8IL6 | |
| Formic Acid SCHEMBL21462211 | 0.88 | CYP3A4 (0.59) | CYP3A4CYP2D6TLR7TLR8IL6 | |
| Formic Acid SCHEMBL21462210 | 0.88 | CYP3A4 (0.59) | CYP3A4CYP2D6TLR7TLR8IL6 | |
| SCHEMBL21465890 | 0.85 | CYP3A4 (0.61) | CYP3A4CYP2D6TLR7TLR8IL6 | |
| SCHEMBL21482036 | 0.85 | CYP3A4 (0.71) | CYP3A4CYP2D6TLR7TLR8IL6 | |
| SCHEMBL21465870 | 0.85 | CYP3A4 (0.71) | CYP3A4CYP2D6TLR7TLR8IL6 | |
| SCHEMBL21465871 | 0.85 | CYP3A4 (0.71) | CYP3A4CYP2D6TLR7TLR8IL6 | |
| SCHEMBL21481587 | 0.84 | CYP3A4 (0.68) | CYP3A4CYP2D6TLR7TLR8IL6 | |
| SCHEMBL21481567 | 0.83 | CYP3A4 (0.67) | CYP3A4CYP2D6TLR7TLR8IL6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019196918-A1 | FIVE-MEMBERED HETEROCYCLO-PYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 罗欣药业(上海)有限公司 | 2019-10-17 | — | — | WO | disclosed |