Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21230438 | 0.81 | GAA (0.37) | CD44GAACA1CA2CA9 | |
| SCHEMBL24652746 | 0.81 | CYP3A4 (0.39) | CD44ALDH1A1 | |
| SCHEMBL24652613 | 0.78 | CD44 (0.38) | CD44GAAALDH1A1 | |
| SCHEMBL24652823 | 0.76 | CYP3A4 (0.42) | CD44ALDH1A1 | |
| SCHEMBL24305375 | 0.71 | TSHR (0.32) | ALDH1A1CA1CA2CA9 | |
| SCHEMBL17744621 | 0.71 | CD44 (0.41) | CD44GAAALDH1A1CA1CA2 | |
| SCHEMBL19249327 | 0.71 | IDO1 (0.33) | — | |
| SCHEMBL24652616 | 0.70 | — | — | |
| SCHEMBL20727223 | 0.69 | POLB (0.32) | GAA | |
| SCHEMBL19636756 | 0.67 | ALDH1A1 (0.37) | ALDH1A1 |
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-3746435-B1 | SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS | PFIZER (US) | 2022-08-03 | — | — | EP | disclosed |
| WO-2019150305-A1 | SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS | PFIZER INC. (US) | 2019-08-08 | — | — | WO | disclosed |