Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | MTOR | P42345 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 7/20 | 0.37 |
| ▸ | F12 | P00748 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29329891 | 0.87 | PARP1 (0.43) | PARP1TNKS2PARP2ESR2ADORA1 | |
| SCHEMBL29330189 | 0.82 | PARP1 (0.46) | PARP1TNKS2PARP2ESR2ADORA1 | |
| SCHEMBL13250465 | 0.82 | PARP1 (0.47) | PARP1TNKS2PARP2ESR2ADORA1 | |
| SCHEMBL30776241 | 0.82 | PARP1 (0.47) | PARP1TNKS2PARP2ESR2ADORA1 | |
| SCHEMBL3264705 | 0.81 | ADORA1 (0.49) | PARP1TNKS2PARP2ESR2ADORA1 | |
| SCHEMBL22720588 | 0.80 | PARP1 (0.47) | PARP1TNKS2PARP2ESR2ADORA1 | |
| SCHEMBL19616687 | 0.79 | PARP1 (0.45) | PARP1TNKS2PARP2ESR2ADORA1 | |
| SCHEMBL16034353 | 0.79 | PARP1 (0.45) | PARP1TNKS2PARP2ESR2ADORA1 | |
| SCHEMBL9951661 | 0.79 | PARP1 (0.45) | PARP1TNKS2PARP2ESR2ADORA1 | |
| SCHEMBL29330064 | 0.78 | PARP1 (0.43) | PARP1TNKS2PARP2ESR2ADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4400500-A1 | HALOGEN-SUBSTITUTED PYRIDAZINONE COMPOUND AND APPLICATION THEREOF | Medshine Discovery Inc. (CN) | 2024-07-17 | — | — | EP | disclosed |