Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | KRAS | P01116 | 2/20 | 0.32 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | XIAP | P98170 | 1/20 | 0.31 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL23979801 | 0.83 | ELANE (0.39) | PARP1CYP2C19CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL23479216 | 0.77 | PARP1 (0.41) | PARP1CYP2C19CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL29404834 | 0.73 | PARP1 (0.50) | PARP1AURKAAURKBCYP2C19CYP1A2 | |
| SCHEMBL6465602 | 0.73 | PARP1 (0.50) | PARP1AURKAAURKBCYP2C19CYP1A2 | |
| SCHEMBL8603889 | 0.71 | PARP1 (0.44) | PARP1AURKAAURKBCYP2C19CYP1A2 | |
| SCHEMBL14614619 | 0.70 | NCF1 (0.44) | CYP2C19CYP2D6CYP1A2CYP3A4KRAS | |
| SCHEMBL27010719 | 0.69 | ELANE (0.43) | CYP2C19CYP2D6CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL8284240 | 0.69 | CYP2D6 (0.59) | HTR2ASLC6A4KCNH2CYP2D6CYP1A2 | |
| SCHEMBL15983778 | 0.68 | HTR2A (0.51) | HTR2ASLC6A4KCNH2CYP2C19CYP2D6 | |
| SCHEMBL2400753 | 0.68 | HTR2A (0.51) | HTR2ASLC6A4KCNH2CYP2C19CYP2D6 |
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-2021219072-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |