Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 16/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 16/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.32 |
| ▸ | KLK1 | P06870 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25913399 | 0.82 | CSF1R (0.39) | — | |
| SCHEMBL25913396 | 0.76 | ESR2 (0.46) | KCNH2HRH3 | |
| SCHEMBL25914529 | 0.69 | GAA (0.41) | KLKB1KLK1 | |
| SCHEMBL25914740 | 0.69 | CSF1R (0.35) | — | |
| SCHEMBL25911790 | 0.68 | CSF1R (0.53) | — | |
| SCHEMBL25914665 | 0.68 | CSF1R (0.39) | — | |
| SCHEMBL25910556 | 0.67 | PDGFRB (0.49) | — | |
| SCHEMBL25912706 | 0.66 | CSF1R (0.43) | — | |
| SCHEMBL25317161 | 0.64 | ESR1 (0.43) | — | |
| SCHEMBL31010902 | 0.64 | ESR1 (0.43) | — |
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 |