Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 9/20 | 0.41 |
| ▸ | CDK9 | P50750 | 9/20 | 0.41 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.37 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31359734 | 1.00 | GPBAR1 (0.45) | GPBAR1CCNT1CDK9DNMT3ANSD2 | |
| SCHEMBL31359746 | 0.97 | GPBAR1 (0.45) | GPBAR1CCNT1CDK9DNMT3ANSD2 | |
| SCHEMBL26515018 | 0.97 | GPBAR1 (0.45) | GPBAR1CCNT1CDK9DNMT3ANSD2 | |
| SCHEMBL26118444 | 0.90 | CDK9 (0.37) | CCNT1CDK9 | |
| SCHEMBL26515040 | 0.88 | DYRK1A (0.41) | GPBAR1DNMT3ANSD2PIK3CD | |
| SCHEMBL31359830 | 0.88 | DYRK1A (0.41) | GPBAR1DNMT3ANSD2PIK3CD | |
| SCHEMBL26114657 | 0.87 | CDK9 (0.37) | CCNT1CDK9 | |
| SCHEMBL31359866 | 0.85 | CYP3A4 (0.42) | MKNK1 | |
| SCHEMBL26515093 | 0.85 | CYP3A4 (0.42) | MKNK1 | |
| SCHEMBL31359756 | 0.84 | CCNT1 (0.38) | CCNT1CDK9EHMT2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023194964-A1 | FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-12 | — | — | WO | disclosed |