Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.48 |
| ▸ | PTK2 | Q05397 | 13/20 | 0.47 |
| ▸ | CDC7 | O00311 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.45 |
| ▸ | PRKACA | P17612 | 1/20 | 0.45 |
| ▸ | CDK7 | P50613 | 1/20 | 0.45 |
| ▸ | CDK9 | P50750 | 1/20 | 0.45 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 2/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | PTK2B | Q14289 | 5/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30833740 | 0.85 | PTK2 (0.50) | KDRAURKBPTK2CDC7ROCK2 | |
| SCHEMBL29190521 | 0.85 | PTK2 (0.56) | KDRAURKBPTK2FLT3MAPK3 | |
| SCHEMBL30429476 | 0.82 | PTK2 (0.48) | KDRAURKBPTK2CDC7ROCK2 | |
| SCHEMBL28996972 | 0.82 | MAP4K1 (0.54) | KDRAURKBPTK2CDC7ROCK2 | |
| SCHEMBL30833714 | 0.81 | ALK (0.46) | AURKBCDC7ROCK2MAP4K4PIM1 | |
| SCHEMBL30833702 | 0.79 | PTK2 (0.46) | PTK2CDC7ROCK2MAP4K4PIM1 | |
| SCHEMBL27228258 | 0.79 | LRRK2 (0.61) | CHEK1FLT3JAK2ULK1 | |
| SCHEMBL30860863 | 0.79 | LRRK2 (0.61) | CHEK1FLT3JAK2ULK1 | |
| SCHEMBL30833727 | 0.78 | ALK (0.47) | KDRAURKBPTK2CDC7ROCK2 | |
| SCHEMBL30833715 | 0.77 | SYK (0.46) | KDRAURKBPTK2CDC7ROCK2 |
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-113896744-B | Selective EGFR inhibitor | 成都先导药物开发股份有限公司 | 2024-04-16 | — | — | CN | disclosed |