Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | USP1 | O94782 | 1/20 | 0.38 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.38 |
| ▸ | USP7 | Q93009 | 1/20 | 0.37 |
| ▸ | KHK | P50053 | 5/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5352956 | 0.89 | BRD4 (0.48) | LRRK2HRH4KHKSYKKCNH2 | |
| SCHEMBL26354341 | 0.79 | PDE10A (0.41) | LRRK2HRH4USP7KHKTRPM8 | |
| SCHEMBL20732651 | 0.79 | TRPM8 (0.51) | KHKTRPM8CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL16091003 | 0.76 | KDM4E (0.42) | CYP3A4CYP1A2CYP2D6CYP2C19ALOX15 | |
| SCHEMBL5357735 | 0.73 | FAAH (0.44) | BTKUSP1WDR48CYP3A4CYP1A2 | |
| SCHEMBL19675913 | 0.73 | USP1 (0.44) | LRRK2CHRM4USP1WDR48TRPM8 | |
| SCHEMBL5354835 | 0.73 | GRIN2B (0.67) | CYP3A4CYP2D6 | |
| SCHEMBL23472180 | 0.70 | ALDH1A1 (0.43) | CYP3A4CYP1A2CYP2D6CYP2C19ALOX15 | |
| SCHEMBL18649619 | 0.70 | CYP1A2 (0.40) | CYP3A4CYP1A2CYP2D6CYP2C19ALOX15 | |
| SCHEMBL29607953 | 0.70 | CYP3A4 (0.49) | CYP3A4CYP1A2CYP2D6CYP2C19ALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118373809-A | Quinoxalinone compound and preparation method, pharmaceutical composition and application thereof | 徐州医科大学 | 2024-07-23 | — | — | CN | claimed |
| CN-118373809-A | Quinoxalinone compound and preparation method, pharmaceutical composition and application thereof | 徐州医科大学 | 2024-07-23 | — | — | CN | disclosed |