Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | PDE9A | O76083 | 8/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 2/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | PDE8A | O60658 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL26344132 | 1.00 | CYP3A4 (0.39) | CYP3A4CYP2B6PARP1ALDH1A1HTT | |
| SCHEMBL30459333 | 1.00 | CYP3A4 (0.39) | CYP3A4CYP2B6PARP1ALDH1A1HTT | |
| SCHEMBL26344141 | 0.98 | PARP1 (0.40) | CYP3A4CYP2B6PARP1ALDH1A1HTT | |
| SCHEMBL31363880 | 0.98 | PARP1 (0.40) | CYP3A4CYP2B6PARP1ALDH1A1HTT | |
| SCHEMBL29588283 | 0.95 | CYP3A4 (0.40) | CYP3A4CYP2B6PARP1ALDH1A1HTT | |
| SCHEMBL27142843 | 0.95 | CYP3A4 (0.40) | CYP3A4CYP2B6PARP1ALDH1A1HTT | |
| SCHEMBL26344117 | 0.95 | CYP3A4 (0.40) | CYP3A4CYP2B6PARP1ALDH1A1HTT | |
| SCHEMBL31364128 | 0.83 | OGA (0.39) | CYP3A4CYP2B6PDE9A | |
| SCHEMBL26344128 | 0.83 | OGA (0.39) | CYP3A4CYP2B6PDE9A | |
| SCHEMBL26345449 | 0.79 | CYP3A4 (0.40) | CYP3A4CYP2B6PDE9AP2RX3PDE5A |
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-119638682-A | Triazine diketone derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2025-03-18 | — | — | CN | disclosed |
| CN-119638681-A | Triazine diketone derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2025-03-18 | — | — | CN | disclosed |