Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 15/20 | 0.52 |
| ▸ | PAK4 | O96013 | 1/20 | 0.51 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | KHK | P50053 | 2/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23362375 | 0.84 | IRAK4 (0.49) | IRAK4PAK4ABL1KHKLRRK2 | |
| SCHEMBL1897440 | 0.81 | CDC7 (0.54) | ABL1 | |
| SCHEMBL23363434 | 0.77 | IRAK4 (0.43) | IRAK4PAK4ABL1 | |
| SCHEMBL23362776 | 0.76 | PAK4 (0.42) | IRAK4PAK4KHK | |
| SCHEMBL11970795 | 0.74 | PAK4 (0.57) | IRAK4PAK4KHKLRRK2 | |
| SCHEMBL12001571 | 0.71 | PAK4 (0.67) | IRAK4PAK4LRRK2 | |
| SCHEMBL23362639 | 0.70 | TTBK1 (0.48) | — | |
| SCHEMBL13556113 | 0.69 | CDC7 (0.43) | — | |
| SCHEMBL17440639 | 0.68 | IRAK4 (1.00) | IRAK4 | |
| SCHEMBL17442034 | 0.68 | IRAK4 (1.00) | 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-2021096112-A1 | PYRROLOPYRIMIDINE, PYRROLOPYRIDINE AND INDAZOLE COMPOUND DERIVATIVE, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION CONTAINING SAME | 한국과학기술연구원 | 2021-05-20 | — | — | WO | disclosed |