Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SREBF2 | Q12772 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.44 |
| ▸ | ATR | Q13535 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | PRKCI | P41743 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30955460 | 0.87 | SREBF2 (0.46) | SREBF2CYP17A1ATRCA12CA1 | |
| SCHEMBL30955394 | 0.86 | SREBF2 (0.43) | SREBF2CYP17A1ATRCA12CA1 | |
| SCHEMBL30955393 | 0.85 | SREBF2 (0.42) | SREBF2CYP17A1ATRCA12CA1 | |
| SCHEMBL23168284 | 0.85 | SREBF2 (0.47) | SREBF2CYP17A1ATRCA12CA1 | |
| SCHEMBL30955414 | 0.84 | ATR (0.49) | SREBF2CYP17A1ATRCA12CA1 | |
| SCHEMBL30955392 | 0.83 | ACHE (0.43) | SREBF2CYP17A1ATRACSS2MAPKAPK2 | |
| SCHEMBL30955403 | 0.83 | CYP17A1 (0.42) | SREBF2CYP17A1ATRCA12CA1 | |
| SCHEMBL30955402 | 0.83 | ATR (0.42) | SREBF2CYP17A1ATRCA12CA1 | |
| SCHEMBL6591045 | 0.81 | SREBF2 (0.49) | SREBF2CYP17A1ATRCA12CA1 | |
| SCHEMBL30955481 | 0.81 | SREBF2 (0.44) | SREBF2CYP17A1ATRCA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024131938-A1 | QUINAZOLINE COMPOUND AND USE THEREOF | 赛诺哈勃药业（成都）有限公司 | 2024-06-27 | — | — | WO | disclosed |
| WO-2023143135-A1 | QUINAZOLINE DERIVATIVE AND USE THEREOF | 赛诺哈勃药业（成都）有限公司 | 2023-08-03 | — | — | WO | disclosed |