Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 15/20 | 0.52 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 9/20 | 0.48 |
| ▸ | PLK4 | O00444 | 3/20 | 0.47 |
| ▸ | PAK4 | O96013 | 2/20 | 0.47 |
| ▸ | JAK3 | P52333 | 2/20 | 0.46 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.45 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 2/20 | 0.45 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 2/20 | 0.44 |
| ▸ | CSF1R | P07333 | 2/20 | 0.44 |
| ▸ | RET | P07949 | 2/20 | 0.44 |
| ▸ | KIT | P10721 | 2/20 | 0.44 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.44 |
| ▸ | SRC | P12931 | 2/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.44 |
| ▸ | TYK2 | P29597 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28607583 | 0.91 | AURKA (0.51) | AURKARIPK1AURKBPLK4PAK4 | |
| Hydrochloric Acid SCHEMBL28463160 | 0.83 | AURKA (0.55) | AURKARIPK1AURKBPLK4PAK4 | |
| SCHEMBL28622783 | 0.79 | AURKA (0.44) | AURKARIPK1AURKBIGF1RRET | |
| SCHEMBL30353149 | 0.78 | AURKA (0.60) | AURKARIPK1AURKBPLK4PAK4 | |
| SCHEMBL22534378 | 0.74 | PLK4 (0.61) | AURKARIPK1AURKBPLK4PAK4 | |
| Hydrochloric Acid SCHEMBL30384823 | 0.73 | PLK4 (0.60) | AURKARIPK1AURKBPLK4PAK4 | |
| Hydrochloric Acid SCHEMBL28466637 | 0.73 | PLK4 (0.60) | AURKARIPK1AURKBPLK4PAK4 | |
| SCHEMBL24409341 | 0.70 | RET (0.55) | AURKARIPK1RET | |
| SCHEMBL31466596 | 0.69 | CASP1 (0.46) | AURKAPLK4PAK4JAK2 | |
| SCHEMBL28618614 | 0.68 | RET (0.56) | AURKAAURKBPLK4PAK4JAK3 |
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-113135896-B | Methylpyrazole derivatives as RET inhibitors | 正大天晴药业集团股份有限公司 | 2024-12-06 | — | — | CN | disclosed |
| CN-113135896-A | Methylpyrazole derivatives as RET inhibitors | 正大天晴药业集团股份有限公司 | 2021-07-20 | — | — | CN | disclosed |