Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 6/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.40 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.40 |
| ▸ | AKT2 | P31751 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 5/20 | 0.39 |
| ▸ | CCNK | O75909 | 5/20 | 0.38 |
| ▸ | CDK12 | Q9NYV4 | 5/20 | 0.38 |
| ▸ | AXL | P30530 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28867026 | 1.00 | PRKCI (0.45) | PRKCIAURKAAURKBINCENPTPX2 | |
| SCHEMBL100777 | 0.82 | CCNK (0.49) | PRKCIAURKAAURKBINCENPTPX2 | |
| SCHEMBL29188603 | 0.73 | MAP3K14 (0.47) | PRKCIAKT2 | |
| SCHEMBL29941273 | 0.73 | MAP3K14 (0.47) | PRKCIAKT2 | |
| SCHEMBL28867039 | 0.72 | PRKCI (0.48) | PRKCIAURKAAURKBINCENPTPX2 | |
| SCHEMBL29941811 | 0.72 | PRKCI (0.48) | PRKCIAURKAAURKBINCENPTPX2 | |
| Trifluoroacetic Acid SCHEMBL4088375 | 0.72 | CCNK (0.41) | PRKCIAURKAAURKBNUDT1CCNK | |
| SCHEMBL11970748 | 0.67 | PAK4 (0.57) | — | |
| SCHEMBL11998910 | 0.65 | LRRK2 (0.43) | — | |
| SCHEMBL27979005 | 0.63 | NOS1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115215861-B | Aromatic heterocycle substituted alkyne compound and preparation method and application thereof | 上海翊石医药科技有限公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-115215861-A | Aromatic heterocycle substituted alkyne compound and preparation method and application thereof | 上海翊石医药科技有限公司 | 2022-10-21 | — | — | CN | disclosed |