Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.51 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.51 |
| ▸ | GRM1 | Q13255 | 7/20 | 0.48 |
| ▸ | GRM5 | P41594 | 6/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | CDK9 | P50750 | 5/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.47 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | WDR5 | P61964 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29803696 | 0.89 | NAMPT (0.52) | SCN9APDK4GRM1GRM5NAMPT | |
| SCHEMBL24669339 | 0.89 | NAMPT (0.52) | SCN9APDK4GRM1GRM5NAMPT | |
| SCHEMBL1038502 | 0.88 | PDK4 (0.52) | SCN9APDK4GRM1GRM5NAMPT | |
| SCHEMBL26928984 | 0.88 | PDK4 (0.53) | SCN9APDK4GRM1GRM5NAMPT | |
| SCHEMBL24670264 | 0.87 | WDR5 (0.49) | SCN9APDK4GRM1GRM5NAMPT | |
| SCHEMBL24671399 | 0.87 | NAMPT (0.60) | SCN9APDK4GRM1GRM5NAMPT | |
| SCHEMBL24669437 | 0.86 | PDK4 (0.48) | SCN9APDK4GRM1GRM5NAMPT | |
| SCHEMBL24669486 | 0.86 | SCN9A (0.47) | SCN9APDK4GRM1GRM5NAMPT | |
| SCHEMBL24669316 | 0.86 | WDR5 (0.48) | SCN9APDK4GRM1GRM5NAMPT | |
| SCHEMBL24670852 | 0.86 | NAMPT (0.49) | SCN9APDK4GRM1GRM5NAMPT |
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-116710433-A | Selective PARP1 inhibitor and application thereof | 成都百裕制药股份有限公司 | 2023-09-05 | — | — | CN | disclosed |
| WO-2022222966-A1 | SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF | 成都百裕制药股份有限公司 | 2022-10-27 | — | — | WO | disclosed |