Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17467699 | 0.83 | CHRM1 (0.38) | CHRM1DRD3SLC6A9 | |
| SCHEMBL28722176 | 0.81 | PARP1 (0.39) | PARP1PARP2CHRM1DRD3SLC6A9 | |
| SCHEMBL28721921 | 0.80 | NR1H2 (0.40) | PARP1PARP2 | |
| SCHEMBL28722427 | 0.80 | NR1H2 (0.40) | PARP1PARP2 | |
| SCHEMBL28721919 | 0.80 | NR1H2 (0.40) | PARP1PARP2 | |
| SCHEMBL28719989 | 0.75 | CHRM1 (0.42) | PARP1PARP2CHRM1DRD3SLC6A9 | |
| SCHEMBL28719987 | 0.75 | CHRM1 (0.42) | PARP1PARP2CHRM1DRD3SLC6A9 | |
| SCHEMBL13451573 | 0.75 | DRD3 (0.40) | CHRM1DRD3SLC6A9 | |
| SCHEMBL17467697 | 0.75 | DRD3 (0.40) | CHRM1DRD3SLC6A9 | |
| SCHEMBL23860181 | 0.73 | DRD3 (0.39) | CHRM1DRD3SLC6A9 |
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-110088098-B | Quinazolinone PARP-1 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-04-15 | — | — | CN | disclosed |