Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 10/20 | 0.37 |
| ▸ | CASP3 | P42574 | 3/20 | 0.37 |
| ▸ | CASP7 | P55210 | 3/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 6/20 | 0.35 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | CDK3 | Q00526 | 2/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26118444 | 0.97 | CDK9 (0.37) | CDK9CASP3CASP7KDM4CCCNT1 | |
| SCHEMBL26515018 | 0.90 | GPBAR1 (0.45) | CDK9CCNT1 | |
| SCHEMBL31359746 | 0.90 | GPBAR1 (0.45) | CDK9CCNT1 | |
| SCHEMBL26115214 | 0.87 | CDK9 (0.38) | CDK9CASP3CASP7CCNT1KCNH2 | |
| SCHEMBL31359797 | 0.87 | CDK9 (0.38) | CDK9CASP3CASP7CCNT1KCNH2 | |
| SCHEMBL26515016 | 0.87 | GPBAR1 (0.45) | CDK9CCNT1 | |
| SCHEMBL31359734 | 0.87 | GPBAR1 (0.45) | CDK9CCNT1 | |
| SCHEMBL31359756 | 0.84 | CCNT1 (0.38) | CDK9CASP3CASP7CCNT1KCNH2 | |
| SCHEMBL26113292 | 0.84 | CCNT1 (0.38) | CDK9CASP3CASP7CCNT1KCNH2 | |
| SCHEMBL26120739 | 0.84 | EGFR (0.37) | BTK |
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 |