Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.52 |
| ▸ | TTBK1 | Q5TCY1 | 5/20 | 0.49 |
| ▸ | TTBK2 | Q6IQ55 | 5/20 | 0.49 |
| ▸ | CDC7 | O00311 | 2/20 | 0.48 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.48 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 2/20 | 0.41 |
| ▸ | JAK3 | P52333 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | PAK4 | O96013 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26784728 | 0.84 | TTBK1 (0.49) | TTBK1TTBK2CDC7DBF4NOTUM | |
| SCHEMBL191691 | 0.84 | CDC7 (0.61) | TRPA1TTBK1TTBK2CDC7DBF4 | |
| SCHEMBL26786653 | 0.81 | TTBK1 (0.57) | TRPA1TTBK1TTBK2CDC7DBF4 | |
| SCHEMBL6660725 | 0.75 | CDC7 (0.42) | TRPA1TTBK1TTBK2CDC7DBF4 | |
| SCHEMBL28071146 | 0.70 | TRPA1 (0.53) | TRPA1TTBK1TTBK2MKNK1MKNK2 | |
| SCHEMBL6273375 | 0.70 | TTBK1 (0.52) | TRPA1TTBK1TTBK2CDC7DBF4 | |
| SCHEMBL166205 | 0.70 | TRPA1 (0.38) | TRPA1TTBK1TTBK2MKNK1MKNK2 | |
| SCHEMBL162870 | 0.70 | TRPA1 (0.40) | TRPA1TTBK1TTBK2MKNK1MKNK2 | |
| SCHEMBL17954541 | 0.69 | CDC7 (0.63) | TRPA1TTBK1TTBK2CDC7DBF4 | |
| SCHEMBL31060605 | 0.69 | CDC7 (0.73) | CDC7DBF4MKNK1 |
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-1444982-A1 | The use of purine derivatives as selective kinase inhibitors | MERCKLE GMBH (DE) | 2004-08-11 | — | — | EP | disclosed |