Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.33 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.33 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.33 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 3/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.32 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20265612 | 0.80 | IKBKE (0.33) | IRAK4UTS2RIKBKETBK1HTR1A | |
| SCHEMBL13454732 | 0.72 | CCR1 (0.38) | IRAK4CYP1A2HSD17B10ASIC3 | |
| SCHEMBL20778909 | 0.71 | MTNR1A (0.42) | HSD17B10 | |
| SCHEMBL30748895 | 0.71 | IRAK4 (0.52) | IRAK4CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29487180 | 0.68 | NR4A2 (0.34) | IRAK4NR4A2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13262134 | 0.68 | NCF1 (0.43) | IRAK4NR4A2 | |
| SCHEMBL15339587 | 0.68 | PRKCI (0.32) | IRAK4 | |
| SCHEMBL30504301 | 0.68 | NCF1 (0.43) | IRAK4NR4A2 | |
| SCHEMBL2798723 | 0.68 | NR4A2 (0.34) | IRAK4NR4A2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29446635 | 0.68 | IRAK4 (0.30) | IRAK4 |
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-2020163193-A1 | BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS | BIOGEN MA INC. (US) | 2020-08-13 | — | — | WO | disclosed |