Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | BUB1 | O43683 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 5/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.32 |
| ▸ | ABL1 | P00519 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | HCK | P08631 | 2/20 | 0.32 |
| ▸ | SRC | P12931 | 2/20 | 0.32 |
| ▸ | KDR | P35968 | 2/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.32 |
| ▸ | MTOR | P42345 | 2/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.32 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.32 |
| ▸ | PRKDC | P78527 | 2/20 | 0.32 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30933401 | 0.83 | HSP90AA1 (0.35) | ACLYBUB1HSP90AA1HSP90AB1L3MBTL1 | |
| SCHEMBL31195162 | 0.83 | ACLY (0.40) | ACLYBUB1HSP90AA1HSP90AB1L3MBTL1 | |
| SCHEMBL21625237 | 0.80 | ACLY (0.39) | ACLYBUB1HSP90AA1HSP90AB1L3MBTL1 | |
| SCHEMBL31056662 | 0.80 | ACLY (0.39) | ACLYBUB1HSP90AA1HSP90AB1L3MBTL1 | |
| SCHEMBL31549567 | 0.79 | HSP90AA1 (0.42) | ACLYBUB1HSP90AA1HSP90AB1L3MBTL1 | |
| Formic Acid SCHEMBL31607190 | 0.79 | BUB1 (0.37) | ACLYBUB1HSP90AA1HSP90AB1L3MBTL1 | |
| SCHEMBL16409301 | 0.78 | BUB1 (0.40) | ACLYBUB1HSP90AA1HSP90AB1BCHE | |
| SCHEMBL30292226 | 0.78 | BUB1 (0.40) | ACLYBUB1HSP90AA1HSP90AB1BCHE | |
| SCHEMBL3913555 | 0.75 | MEN1 (0.41) | ACLY | |
| SCHEMBL30292207 | 0.75 | L3MBTL1 (0.36) | ACLYBUB1HSP90AA1HSP90AB1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118043314-A | Benzazepine heteroaromatic ring derivative and application thereof in medicine | 西藏海思科制药有限公司 | 2024-05-14 | — | — | CN | disclosed |