Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.65 |
| ▸ | PIM1 | P11309 | 2/20 | 0.56 |
| ▸ | CDK8 | P49336 | 2/20 | 0.56 |
| ▸ | MAP4K2 | Q12851 | 2/20 | 0.56 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.56 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.56 |
| ▸ | AURKA | O14965 | 1/20 | 0.56 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.56 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.56 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.56 |
| ▸ | PAK4 | O96013 | 1/20 | 0.56 |
| ▸ | ABL1 | P00519 | 1/20 | 0.56 |
| ▸ | RET | P07949 | 1/20 | 0.56 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.56 |
| ▸ | PRKACA | P17612 | 1/20 | 0.56 |
| ▸ | FLT1 | P17948 | 1/20 | 0.56 |
| ▸ | LTK | P29376 | 1/20 | 0.56 |
| ▸ | GRK5 | P34947 | 1/20 | 0.56 |
| ▸ | KDR | P35968 | 1/20 | 0.56 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL5550381 | 1.00 | CYP2A6 (0.65) | CYP2A6PIM1CDK8MAP4K2DYRK1A | |
| SCHEMBL11070896 | 0.83 | CYP2A6 (0.65) | CYP2A6PIM1CDK8MAP4K2DYRK1A | |
| Hydrochloric Acid SCHEMBL27139693 | 0.82 | CYP2A6 (0.62) | CYP2A6PIM1CDK8MAP4K2DYRK1A | |
| SCHEMBL23418287 | 0.79 | CYP2A6 (1.00) | CYP2A6PIM1CDK8MAP4K2DYRK1A | |
| SCHEMBL16023607 | 0.75 | CYP2A6 (0.55) | CYP2A6PIM1CDK8MAP4K2DYRK1A | |
| SCHEMBL30711406 | 0.75 | CYP2A6 (0.55) | CYP2A6PIM1CDK8MAP4K2DYRK1A | |
| SCHEMBL14764657 | 0.75 | CYP2A6 (0.55) | CYP2A6PIM1CDK8MAP4K2DYRK1A | |
| SCHEMBL30457382 | 0.75 | CYP2A6 (0.55) | CYP2A6PIM1CDK8MAP4K2DYRK1A | |
| SCHEMBL3681417 | 0.75 | CYP2A6 (0.55) | CYP2A6PIM1CDK8MAP4K2DYRK1A | |
| SCHEMBL965562 | 0.75 | CYP2A6 (0.55) | CYP2A6PIM1CDK8MAP4K2DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-112979675-B | Small molecular sulfur-containing heterocyclic compound | 维眸生物科技（上海）有限公司 | 2023-12-19 | — | — | CN | disclosed |