Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBK1 | Q9UHD2 | 9/20 | 0.40 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | FLT4 | P35916 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.32 |
| ▸ | TEK | Q02763 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29821698 | 1.00 | TBK1 (0.40) | TBK1MAP4K1SCN9AEGFRIGF1R | |
| SCHEMBL29822161 | 0.93 | TBK1 (0.33) | TBK1MAP4K1SCN9A | |
| SCHEMBL29822168 | 0.92 | TBK1 (0.43) | TBK1MAP4K1 | |
| SCHEMBL20659189 | 0.92 | TBK1 (0.43) | TBK1MAP4K1 | |
| SCHEMBL20659048 | 0.92 | TBK1 (0.43) | TBK1MAP4K1 | |
| SCHEMBL29821475 | 0.92 | TBK1 (0.43) | TBK1MAP4K1 | |
| SCHEMBL20659000 | 0.91 | TBK1 (0.34) | TBK1MAP4K1EGFRIGF1RSRC | |
| SCHEMBL29821892 | 0.91 | TBK1 (0.34) | TBK1MAP4K1EGFRIGF1RSRC | |
| SCHEMBL20659343 | 0.89 | ALOX5AP (0.31) | — | |
| SCHEMBL29822307 | 0.89 | ALOX5AP (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3655406-A1 | SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES | Bayer Pharma Aktiengesellschaft (DE) | 2020-05-27 | — | — | EP | disclosed |
| WO-2019016071-A1 | SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2019-01-24 | — | — | WO | disclosed |