Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.31 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.31 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.31 |
| ▸ | MIF | P14174 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25915038 | 0.87 | GABRA1 (0.30) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL25914114 | 0.84 | SCN9A (0.34) | — | |
| SCHEMBL25913615 | 0.81 | MET (0.32) | — | |
| SCHEMBL25322198 | 0.79 | ESR2 (0.43) | ESR1ESR2 | |
| SCHEMBL15237661 | 0.77 | ESR2 (0.45) | ESR1ESR2 | |
| SCHEMBL15237656 | 0.76 | ESR1 (0.52) | ESR1ESR2 | |
| SCHEMBL25914988 | 0.75 | P2RX3 (0.31) | — | |
| SCHEMBL25915039 | 0.74 | — | — | |
| SCHEMBL25913396 | 0.73 | ESR2 (0.46) | ESR1ESR2 | |
| SCHEMBL25316199 | 0.72 | ESR2 (0.44) | ESR1ESR2 |
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-2023125812-A1 | SUBSTITUTED PYRIMIDONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF | 上海海雁医药科技有限公司 | 2023-07-06 | — | — | WO | disclosed |