Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 2/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | PTGES | O14684 | 3/20 | 0.33 |
| ▸ | WEE1 | P30291 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.33 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30495148 | 0.86 | HSD11B1 (0.40) | EGFRDHODHPTGES | |
| SCHEMBL25358826 | 0.86 | HSD11B1 (0.40) | EGFRDHODHPTGES | |
| SCHEMBL26042227 | 0.84 | DHODH (0.37) | ADRA1AKCNH2HRH3DHODHPTGES | |
| SCHEMBL30495014 | 0.82 | ADORA2A (0.39) | — | |
| SCHEMBL25360538 | 0.82 | ADORA2A (0.39) | — | |
| SCHEMBL30690320 | 0.81 | DHODH (0.42) | ADRA1AKCNH2HRH3DHODHPTGES | |
| SCHEMBL29139168 | 0.81 | AKT1 (0.35) | ADRA1AKCNH2HRH3DHODHPTGES | |
| SCHEMBL30690342 | 0.81 | AKT1 (0.35) | ADRA1AKCNH2HRH3DHODHPTGES | |
| SCHEMBL29139165 | 0.81 | AKT1 (0.35) | ADRA1AKCNH2HRH3DHODHPTGES | |
| SCHEMBL25361244 | 0.81 | KDM4E (0.38) | EGFRADRA1AKCNH2HRH3 |
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-117362281-A | PI3K inhibitor and preparation method and application thereof | 海创药业股份有限公司 | 2024-01-09 | — | — | CN | disclosed |