Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL26745585 | 0.82 | — | — | |
| SCHEMBL20439456 | 0.79 | ESR2 (0.38) | — | |
| SCHEMBL22415003 | 0.77 | — | — | |
| SCHEMBL14985583 | 0.71 | LMNA (0.33) | ALDH1A1 | |
| SCHEMBL20169602 | 0.71 | CXCR5 (0.37) | ALDH1A1TSHR | |
| SCHEMBL27700509 | 0.71 | CXCR5 (0.37) | ALDH1A1TSHR | |
| SCHEMBL17212891 | 0.69 | HPGD (0.31) | — | |
| SCHEMBL14143245 | 0.69 | — | — | |
| SCHEMBL22367817 | 0.69 | POLB (0.33) | NOS2ALDH1A1TSHR | |
| SCHEMBL20021007 | 0.68 | PKM (0.36) | ALDH1A1TSHR |
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 |