Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 18/20 | 0.62 |
| ▸ | AR | P10275 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10039742 | 0.88 | PARP1 (0.57) | PARP1ARCYP3A4CYP2C9TSHR | |
| SCHEMBL10039749 | 0.86 | PARP1 (0.68) | PARP1 | |
| SCHEMBL10039736 | 0.85 | PARP1 (0.69) | PARP1 | |
| SCHEMBL10039888 | 0.85 | PARP1 (0.67) | PARP1 | |
| SCHEMBL10039728 | 0.84 | PARP1 (0.66) | PARP1 | |
| SCHEMBL10039737 | 0.84 | PARP1 (0.52) | PARP1ARCYP3A4CYP2C9TSHR | |
| SCHEMBL10039874 | 0.83 | PARP1 (0.65) | PARP1 | |
| SCHEMBL10039712 | 0.83 | PARP1 (0.66) | PARP1 | |
| SCHEMBL30546371 | 0.83 | PARP1 (0.49) | PARP1AR | |
| SCHEMBL26120440 | 0.83 | PARP1 (0.49) | PARP1AR |
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-2012019430-A1 | PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-02-16 | — | — | WO | disclosed |