Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 8/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.40 |
| ▸ | AR | P10275 | 3/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | ESRRA | P11474 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | EPAS1 | Q99814 | 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 | |
|---|---|---|---|---|
| SCHEMBL14663488 | 1.00 | CYP3A4 (0.41) | CYP3A4AAK1SCN9ASLC22A12AR | |
| SCHEMBL875698 | 0.83 | SCN9A (0.44) | SCN9ASLC22A12AREPAS1 | |
| SCHEMBL14662019 | 0.83 | KDR (0.46) | KDRBRAF | |
| SCHEMBL31276719 | 0.83 | KDR (0.46) | KDRBRAF | |
| SCHEMBL15813965 | 0.83 | SLC22A12 (0.40) | SLC22A12ESRRA | |
| SCHEMBL14662745 | 0.81 | SLC22A12 (0.42) | SLC22A12KDRESRRA | |
| SCHEMBL17460293 | 0.81 | TTR (0.41) | CYP3A4AAK1SLC22A12ARESRRA | |
| SCHEMBL15832066 | 0.81 | AR (0.49) | CYP3A4AAK1SLC22A12AR | |
| SCHEMBL875764 | 0.81 | SLC22A12 (0.39) | SLC22A12ARESRRAEPAS1 | |
| SCHEMBL14662670 | 0.80 | AR (0.61) | ARESRRA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119161343-A | Bridged pyrimidinone compounds, preparation method thereof, pharmaceutical composition and application thereof | 上海深势唯思科技有限责任公司 | 2024-12-20 | — | — | CN | disclosed |
| CN-119143780-A | Lp-PLA2 inhibitor, preparation method thereof, pharmaceutical composition and application thereof | 上海深势唯思科技有限责任公司 | 2024-12-17 | — | — | CN | disclosed |
| CN-119080800-A | Tricyclic pyrimidinone compounds, preparation method thereof, pharmaceutical composition and application thereof | 上海深势唯思科技有限责任公司 | 2024-12-06 | — | — | CN | disclosed |