Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 4/20 | 0.49 |
| ▸ | EPHA2 | P29317 | 3/20 | 0.49 |
| ▸ | KDR | P35968 | 3/20 | 0.49 |
| ▸ | EPHB4 | P54760 | 3/20 | 0.49 |
| ▸ | FLT1 | P17948 | 2/20 | 0.49 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.49 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 4/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30639974 | 1.00 | ERBB2 (0.49) | ERBB2EPHA2KDREPHB4FLT1 | |
| SCHEMBL31377604 | 1.00 | ERBB2 (0.49) | ERBB2EPHA2KDREPHB4FLT1 | |
| SCHEMBL30264691 | 0.96 | EPHA2 (0.46) | ERBB2EPHA2KDREPHB4FLT1 | |
| SCHEMBL29465790 | 0.85 | PIK3CD (0.54) | ERBB2EPHA2KDREPHB4PIK3CD | |
| SCHEMBL29465791 | 0.85 | PIK3CD (0.54) | ERBB2EPHA2KDREPHB4PIK3CD | |
| SCHEMBL665187 | 0.85 | PIK3CD (0.54) | ERBB2EPHA2KDREPHB4PIK3CD | |
| SCHEMBL2453138 | 0.85 | PIK3CD (0.54) | ERBB2EPHA2KDREPHB4PIK3CD | |
| SCHEMBL22598590 | 0.85 | PIK3CD (0.51) | ERBB2EPHA2EPHB4ENPP1PIK3CD | |
| SCHEMBL29465805 | 0.85 | PIK3CD (0.51) | ERBB2EPHA2EPHB4ENPP1PIK3CD | |
| SCHEMBL17179572 | 0.85 | ERBB2 (0.49) | ERBB2EPHA2KDREPHB4FLT1 |
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-2023185793-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF | 江苏恒瑞医药股份有限公司 | 2023-10-05 | — | — | WO | disclosed |