Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28157940 | 0.80 | FLT3 (0.37) | CYP1A2 | |
| SCHEMBL28158310 | 0.75 | CTSK (0.48) | CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6 | |
| SCHEMBL6074035 | 0.74 | NCF1 (0.37) | NCF1 | |
| SCHEMBL13633692 | 0.74 | UHRF1 (0.33) | ALDH1A1CYP2C9MAPTALOX15 | |
| SCHEMBL18608756 | 0.72 | — | — | |
| SCHEMBL10564099 | 0.72 | NOS3 (0.34) | — | |
| SCHEMBL24240133 | 0.72 | RPS6KA5 (0.30) | — | |
| SCHEMBL13074630 | 0.72 | — | — | |
| SCHEMBL10963867 | 0.71 | AOC3 (0.31) | CYP1A2CYP2D6 | |
| SCHEMBL10963860 | 0.71 | AOC3 (0.31) | CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3642199-B1 | BENZOFURANS AS IRAK4 MODULATORS | HOFFMANN LA ROCHE (CH) | 2022-04-27 | — | — | EP | disclosed |