Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL28058929 | 1.00 | DRD3 (0.31) | DRD3ALDH1A1GAA | |
| SCHEMBL28055328 | 0.88 | SIGMAR1 (0.39) | — | |
| SCHEMBL28776242 | 0.87 | DRD3 (0.30) | DRD3 | |
| SCHEMBL28289023 | 0.86 | DRD3 (0.37) | DRD3 | |
| SCHEMBL27742729 | 0.85 | SCN1A (0.30) | — | |
| SCHEMBL27721977 | 0.85 | SCN1A (0.30) | — | |
| SCHEMBL27722011 | 0.85 | SCN1A (0.30) | — | |
| SCHEMBL28055265 | 0.85 | HSD11B1 (0.30) | — | |
| SCHEMBL28290453 | 0.83 | SCN1A (0.34) | DRD3ALDH1A1 | |
| SCHEMBL28058918 | 0.81 | PARP1 (0.31) | — |
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-110088098-A | Quinazolinones PARP-1 inhibitor and preparation method thereof, pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2019-08-02 | — | — | CN | disclosed |
| CN-105461697-A | Quinazolinone PARP-1 inhibitors, medicinal composition containing inhibitors, and antitumor use of inhibitors | INST MATERIA MEDICA CAMS | 2016-04-06 | — | — | CN | disclosed |