Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SSTR4 | P31391 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL91646 | 0.91 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2SSTR4 | |
| SCHEMBL91645 | 0.91 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2SSTR4 | |
| SCHEMBL14113760 | 0.91 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2SSTR4 | |
| SCHEMBL13701000 | 0.84 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL13335392 | 0.83 | — | — | |
| SCHEMBL3436808 | 0.83 | — | — | |
| SCHEMBL24802994 | 0.83 | — | — | |
| SCHEMBL13335395 | 0.83 | — | — | |
| SCHEMBL26711714 | 0.80 | — | — | |
| SCHEMBL91652 | 0.80 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2SSTR4 |
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-2021139678-A1 | PYRIDOPYRIMIDINE KRAS G12C MUTANT PROTEIN INHIBITOR | 广州百霆医药科技有限公司 | 2021-07-15 | — | — | WO | disclosed |