Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 15/20 | 0.65 |
| ▸ | AR | P10275 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19748820 | 1.00 | PARP1 (0.65) | PARP1ARLMNAENPP1CYP3A4 | |
| SCHEMBL19748902 | 0.90 | PARP1 (0.68) | PARP1ARLMNAENPP1 | |
| SCHEMBL29655253 | 0.90 | PARP1 (0.68) | PARP1ARLMNAENPP1 | |
| SCHEMBL29655158 | 0.90 | PARP1 (0.61) | PARP1ARLMNAENPP1CYP3A4 | |
| SCHEMBL4572871 | 0.90 | PARP1 (0.61) | PARP1ARLMNAENPP1 | |
| SCHEMBL19748788 | 0.90 | PARP1 (0.61) | PARP1ARLMNAENPP1CYP3A4 | |
| SCHEMBL4572876 | 0.86 | PARP1 (0.72) | PARP1ARLMNAENPP1CYP3A4 | |
| SCHEMBL29483966 | 0.86 | PARP1 (0.72) | PARP1ARLMNAENPP1CYP3A4 | |
| SCHEMBL29655069 | 0.86 | PARP1 (0.61) | PARP1 | |
| SCHEMBL19748083 | 0.86 | PARP1 (0.61) | PARP1 |
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-109843874-B | Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer | 加利福尼亚大学董事会 | 2022-05-27 | — | — | CN | disclosed |