Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | AKT2 | P31751 | 1/20 | 0.39 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.39 |
| ▸ | CCNC | P24863 | 5/20 | 0.38 |
| ▸ | CDK8 | P49336 | 5/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 13/20 | 0.38 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.36 |
| ▸ | CLK1 | P49759 | 1/20 | 0.36 |
| ▸ | CLK2 | P49760 | 1/20 | 0.36 |
| ▸ | CDK7 | P50613 | 1/20 | 0.36 |
| ▸ | CCNH | P51946 | 1/20 | 0.36 |
| ▸ | MNAT1 | P51948 | 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 | |
|---|---|---|---|---|
| SCHEMBL30784266 | 0.96 | PIK3CB (0.38) | ALDH1A1AKT1AKT2AKT3CCNC | |
| SCHEMBL30784348 | 0.87 | AKT1 (0.47) | AKT1AKT2AKT3PIK3CB | |
| SCHEMBL30783583 | 0.87 | AKT1 (0.47) | AKT1AKT2AKT3PIK3CB | |
| SCHEMBL30784529 | 0.84 | AKT1 (0.41) | AKT1AKT2AKT3PIK3CB | |
| SCHEMBL30783689 | 0.84 | PIK3CB (0.39) | AKT1AKT2AKT3PIK3CB | |
| SCHEMBL30784478 | 0.83 | AKT1 (0.44) | AKT1AKT2AKT3PIK3CB | |
| SCHEMBL30784377 | 0.83 | CCNC (0.45) | CYP1A2ALDH1A1CYP3A4HSD17B10CCNC | |
| SCHEMBL30783774 | 0.82 | PIK3CB (0.39) | AKT1AKT2AKT3PIK3CB | |
| SCHEMBL30783932 | 0.82 | PIK3CB (0.38) | AKT1AKT2AKT3PIK3CB | |
| SCHEMBL30784489 | 0.82 | PIK3CB (0.39) | AKT1AKT2AKT3PIK3CB |
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-2024026424-A1 | QUINAZOLINONE DERIVATIVES AS AND RELATED USES | BLACK DIAMOND THERAPEUTICS, INC. (US) | 2024-02-01 | — | — | WO | disclosed |