Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 8/20 | 0.38 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | CPB1 | P15086 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21919490 | 1.00 | IRAK4 (0.38) | IRAK4TACR1CPB1TSHRCA1 | |
| SCHEMBL28889962 | 1.00 | IRAK4 (0.38) | IRAK4TACR1CPB1TSHRCA1 | |
| SCHEMBL28407821 | 0.89 | IRAK4 (0.36) | IRAK4TACR1CPB1TSHRCA1 | |
| SCHEMBL28407817 | 0.89 | IRAK4 (0.36) | IRAK4TACR1CPB1TSHRCA1 | |
| SCHEMBL21852507 | 0.87 | IRAK4 (0.41) | IRAK4 | |
| SCHEMBL21919703 | 0.81 | IRAK4 (0.67) | IRAK4 | |
| SCHEMBL20594507 | 0.75 | IRAK4 (0.39) | IRAK4 | |
| SCHEMBL21852669 | 0.73 | PDE4B (0.42) | — | |
| SCHEMBL21852671 | 0.73 | PDE4B (0.42) | — | |
| SCHEMBL19030548 | 0.72 | IRAK4 (0.58) | 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 |
|---|---|---|---|---|---|---|---|
| CN-111094292-A | Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators | 豪夫迈·罗氏有限公司 | 2020-05-01 | — | — | CN | disclosed |