Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 16/20 | 0.70 |
| ▸ | AR | P10275 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL4573019 | 1.00 | PARP1 (0.70) | PARP1ARLMNACYP3A4CYP2C9 | |
| SCHEMBL25546821 | 0.86 | PARP1 (0.63) | PARP1ARCYP3A4CYP2C9TSHR | |
| SCHEMBL2536051 | 0.84 | PARP1 (0.72) | PARP1ARLMNACYP3A4CYP2C9 | |
| SCHEMBL8154178 | 0.84 | AR (0.77) | PARP1ARLMNACYP3A4CYP2C9 | |
| SCHEMBL4573097 | 0.83 | AR (0.62) | PARP1ARLMNACYP3A4CYP2C9 | |
| SCHEMBL863462 | 0.83 | AR (1.00) | PARP1ARLMNACYP3A4CYP2C9 | |
| SCHEMBL12798188 | 0.83 | PARP1 (0.70) | PARP1ARLMNACYP3A4CYP2C9 | |
| SCHEMBL3387433 | 0.83 | PARP1 (0.70) | PARP1ARLMNACYP3A4CYP2C9 | |
| SCHEMBL12955388 | 0.83 | LMNA (0.72) | PARP1ARLMNACYP3A4CYP2C9 | |
| SCHEMBL17825199 | 0.83 | PARP1 (0.71) | PARP1ARLMNACYP3A4CYP2C9 |
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 |