Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 14/20 | 0.51 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24390020 | 1.00 | PARP1 (0.51) | PARP1ARTSHRCYP3A4CYP2C9 | |
| SCHEMBL25890809 | 0.90 | PARP1 (0.50) | PARP1ARTSHRCYP3A4CYP2C9 | |
| SCHEMBL29566305 | 0.90 | PARP1 (0.49) | PARP1ARTSHRCYP3A4CYP2C9 | |
| SCHEMBL25313203 | 0.89 | PARP1 (0.49) | PARP1ARTSHRCYP3A4CYP2C9 | |
| SCHEMBL25890293 | 0.89 | PARP1 (0.49) | PARP1ARTSHRCYP3A4CYP2C9 | |
| SCHEMBL29565612 | 0.85 | PARP1 (0.62) | PARP1ARTSHRCYP3A4CYP2C9 | |
| SCHEMBL24389992 | 0.85 | PARP1 (0.62) | PARP1ARTSHRCYP3A4CYP2C9 | |
| SCHEMBL29565753 | 0.84 | PARP1 (0.45) | PARP1ARTSHRCYP3A4CYP2C9 | |
| SCHEMBL24390012 | 0.83 | PARP1 (0.70) | PARP1TSHRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29565339 | 0.83 | PARP1 (0.70) | PARP1TSHRCYP3A4CYP2C9CYP2C19 |
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-2022090938-A1 | PHTHALAZINONE DERIVATIVES USEFUL AS PARP INHIBITORS | RHIZEN PHARMACEUTICALS AG (CH) | 2022-05-05 | — | — | WO | disclosed |