Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN4A | P35499 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | MAOA | P21397 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | SCN1A | P35498 | 2/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23979528 | 0.86 | MAOA (0.38) | LMNAMAOACYP3A4CYP1A2CYP2D6 | |
| SCHEMBL23979549 | 0.81 | PNMT (0.41) | LMNAMAOACYP3A4CYP1A2CYP2D6 | |
| SCHEMBL24579781 | 0.79 | MAOA (0.33) | LMNAMAOACYP3A4TSHRCYP2A6 | |
| SCHEMBL27973487 | 0.78 | CNR2 (0.36) | MAOACYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL30140878 | 0.74 | NOS3 (0.50) | SCN4ALMNAMAOACYP3A4SCN1A | |
| SCHEMBL2084135 | 0.74 | NOS3 (0.50) | SCN4ALMNAMAOACYP3A4SCN1A | |
| SCHEMBL8404539 | 0.74 | CYP2A6 (0.52) | LMNAMAOACYP3A4CYP1A2TSHR | |
| SCHEMBL23747533 | 0.74 | NOS3 (0.50) | SCN4ALMNAMAOACYP3A4SCN1A | |
| SCHEMBL20482609 | 0.74 | NOS3 (0.50) | SCN4ALMNAMAOACYP3A4SCN1A | |
| SCHEMBL6748371 | 0.73 | LMNA (0.54) | LMNACYP3A4TSHRSLC6A4CYP2A6 |
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 |