Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 19/20 | 0.75 |
| ▸ | PARP2 | Q9UGN5 | 9/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | TNK1 | Q13470 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8067001 | 1.00 | PARP1 (0.75) | PARP1PARP2KCNH2ALDH1A1TNK1 | |
| SCHEMBL8078172 | 0.89 | PARP1 (0.62) | PARP1PARP2KCNH2ALDH1A1TNK1 | |
| SCHEMBL8067063 | 0.89 | PARP1 (0.67) | PARP1PARP2KCNH2 | |
| SCHEMBL8076822 | 0.87 | PARP1 (0.68) | PARP1PARP2KCNH2TNK1 | |
| SCHEMBL25092969 | 0.86 | PARP1 (1.00) | PARP1PARP2 | |
| SCHEMBL30893587 | 0.86 | PARP1 (1.00) | PARP1PARP2 | |
| SCHEMBL8071284 | 0.84 | PARP1 (0.71) | PARP1PARP2KCNH2 | |
| SCHEMBL8070707 | 0.82 | PARP1 (0.69) | PARP1PARP2KCNH2 | |
| SCHEMBL8075135 | 0.82 | PARP1 (1.00) | PARP1PARP2KCNH2TNK1 | |
| SCHEMBL8076591 | 0.82 | PARP1 (0.71) | PARP1PARP2KCNH2 |
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-117177972-A | PARP1 inhibitors and uses thereof | 新特拉有限公司 | 2023-12-05 | — | — | CN | disclosed |