Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 17/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25890288 | 1.00 | PARP1 (0.47) | PARP1ARENPP1CYP3A4CYP2C9 | |
| SCHEMBL30132752 | 0.94 | PARP1 (0.40) | PARP1 | |
| SCHEMBL25312643 | 0.94 | PARP1 (0.40) | PARP1 | |
| SCHEMBL25890284 | 0.94 | PARP1 (0.40) | PARP1 | |
| SCHEMBL25890291 | 0.93 | PARP1 (0.47) | PARP1ARCYP3A4CYP2C9TSHR | |
| SCHEMBL30132743 | 0.91 | PARP1 (0.43) | PARP1AR | |
| SCHEMBL25312615 | 0.91 | PARP1 (0.43) | PARP1AR | |
| SCHEMBL29565341 | 0.91 | PARP1 (0.43) | PARP1AR | |
| SCHEMBL25315024 | 0.91 | PARP1 (0.43) | PARP1AR | |
| SCHEMBL25890280 | 0.91 | PARP1 (0.43) | 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 |
|---|---|---|---|---|---|---|---|
| CN-115485271-A | Novel compounds as inhibitors of poly (ADP-ribose) polymerase (PARP) | 理森制药股份公司 | 2022-12-16 | — | — | CN | disclosed |