Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 11/20 | 0.47 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.47 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.41 |
| ▸ | TNK1 | Q13470 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26152831 | 0.82 | PARP1 (0.72) | PARP1PARP2TNKS | |
| SCHEMBL6927953 | 0.79 | HTT (0.51) | PARP1HRH4TNKSTNKS2HTT | |
| SCHEMBL25889653 | 0.78 | PARP1 (0.57) | PARP1PARP2TNK2TNK1 | |
| SCHEMBL31571045 | 0.72 | SIGMAR1 (0.45) | PARP1PARP2KCNH2HRH4HRH3 | |
| SCHEMBL25889855 | 0.71 | PARP1 (0.65) | PARP1PARP2TNKS | |
| SCHEMBL18334275 | 0.71 | SMN1; SMN2 (0.53) | HRH4 | |
| SCHEMBL25889857 | 0.69 | PARP1 (0.68) | PARP1PARP2TNKS | |
| SCHEMBL25919222 | 0.69 | PARP1 (0.63) | PARP1PARP2TNKS | |
| SCHEMBL30414803 | 0.68 | PARP1 (0.49) | PARP1PARP2 | |
| SCHEMBL30414738 | 0.68 | PARP1 (0.72) | PARP1PARP2TNKS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118055933-A | Selective PARP1 inhibitors and uses thereof | 成都百裕制药股份有限公司 | 2024-05-17 | — | — | CN | disclosed |
| WO-2023088408-A1 | SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF | 成都百裕制药股份有限公司 | 2023-05-25 | — | — | WO | disclosed |