Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 9/20 | 0.52 |
| ▸ | JAK2 | O60674 | 3/20 | 0.52 |
| ▸ | JAK3 | P52333 | 3/20 | 0.52 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SRC | P12931 | 3/20 | 0.47 |
| ▸ | JAK1 | P23458 | 2/20 | 0.47 |
| ▸ | BTK | Q06187 | 4/20 | 0.47 |
| ▸ | ADK | P55263 | 2/20 | 0.47 |
| ▸ | ABL1 | P00519 | 3/20 | 0.46 |
| ▸ | ABL2 | P42684 | 2/20 | 0.46 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.45 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | PAK4 | O96013 | 1/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.45 |
| ▸ | CSF1R | P07333 | 1/20 | 0.45 |
| ▸ | RET | P07949 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27934505 | 1.00 | EGFR (0.52) | EGFRJAK2JAK3HASPINMTOR | |
| SCHEMBL15720017 | 0.93 | EGFR (0.53) | EGFRHASPINMTORRAB9ASRC | |
| SCHEMBL20981818 | 0.93 | EGFR (0.53) | EGFRHASPINMTORRAB9ASRC | |
| SCHEMBL20981728 | 0.93 | EGFR (0.53) | EGFRHASPINMTORRAB9ASRC | |
| SCHEMBL20981725 | 0.87 | ADK (0.44) | EGFRJAK2JAK3HASPINSRC | |
| SCHEMBL29989281 | 0.87 | ADK (0.44) | EGFRJAK2JAK3HASPINSRC | |
| SCHEMBL27217643 | 0.86 | HASPIN (0.53) | EGFRHASPINMTORRAB9ASRC | |
| SCHEMBL30806175 | 0.85 | SRC (0.65) | EGFRJAK2JAK3SRCBTK | |
| SCHEMBL13858167 | 0.85 | SRC (0.65) | EGFRJAK2JAK3SRCBTK | |
| SCHEMBL13857886 | 0.85 | SRC (0.65) | EGFRJAK2JAK3SRCBTK |
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-115160319-A | Compound containing 1, 3-benzodioxole structure and preparation method and application thereof | 西安新通药物研究股份有限公司 | 2022-10-11 | — | — | CN | disclosed |