Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 14/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | UBE2M | P61081 | 1/20 | 0.41 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13565309 | 1.00 | IRAK4 (0.42) | IRAK4TAS1R3TAS1R1UBE2MDCUN1D1 | |
| SCHEMBL17090186 | 0.92 | IRAK4 (0.43) | IRAK4UBE2MDCUN1D1ALDH1A1PKM | |
| SCHEMBL13565995 | 0.92 | IRAK4 (0.43) | IRAK4UBE2MDCUN1D1ALDH1A1PKM | |
| SCHEMBL11936271 | 0.89 | IRAK4 (0.45) | IRAK4ALDH1A1PKMRIPK1JAK3 | |
| SCHEMBL11935137 | 0.89 | IRAK4 (0.45) | IRAK4ALDH1A1PKMRIPK1JAK3 | |
| SCHEMBL10114877 | 0.83 | CHRM5 (0.51) | IRAK4TAS1R3TAS1R1UBE2MDCUN1D1 | |
| SCHEMBL14424373 | 0.83 | CHRM5 (0.51) | IRAK4TAS1R3TAS1R1UBE2MDCUN1D1 | |
| SCHEMBL17089965 | 0.81 | IRAK4 (0.47) | IRAK4ALDH1A1PKMJAK3 | |
| SCHEMBL13565395 | 0.81 | IRAK4 (0.47) | IRAK4ALDH1A1PKMJAK3 | |
| SCHEMBL17090421 | 0.81 | RIPK2 (0.41) | IRAK4ALDH1A1RIPK1CHRM5 |
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 |
|---|---|---|---|---|---|---|---|
| US-9139518-B2 | Amine derivative having NPY Y5 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2015-09-22 | — | — | US | disclosed |