Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 12/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25876511 | 0.80 | CYP2D6 (0.51) | CYP2D6MAPK1CYP3A4ALDH1A1PIK3CD | |
| SCHEMBL23560349 | 0.79 | CYP2D6 (0.58) | CYP2D6MAPK1CYP3A4ALDH1A1PIK3CD | |
| SCHEMBL25870439 | 0.79 | POLB (0.47) | CYP2D6CYP3A4ALDH1A1USP2GAA | |
| SCHEMBL13004984 | 0.78 | GAA (0.55) | CYP2D6ALDH1A1PIK3CDTSHRGAA | |
| SCHEMBL25870576 | 0.77 | CYP2D6 (0.48) | CYP2D6MAPK1CYP3A4ALDH1A1PIK3CD | |
| SCHEMBL27381767 | 0.77 | CYP2D6 (0.65) | CYP2D6MAPK1CYP3A4ALDH1A1PIK3CD | |
| SCHEMBL23806494 | 0.77 | CYP2D6 (0.65) | CYP2D6MAPK1CYP3A4ALDH1A1PIK3CD | |
| SCHEMBL13058951 | 0.75 | GAA (0.57) | ALDH1A1TSHRSMN1; SMN2GAA | |
| SCHEMBL23568284 | 0.75 | CYP2D6 (0.61) | CYP2D6MAPK1CYP3A4ALDH1A1PIK3CD | |
| SCHEMBL23560014 | 0.75 | CYP2D6 (0.61) | CYP2D6MAPK1CYP3A4ALDH1A1PIK3CD |
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-2023116920-A1 | PENTA- FUSED HEXA-HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | 杭州多域生物技术有限公司 | 2023-06-29 | — | — | WO | disclosed |