Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | EP300 | Q09472 | 1/20 | 0.44 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | FGB | P02675 | 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 | |
|---|---|---|---|---|
| SCHEMBL2294249 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP3A4IDO1EP300KAT8 | |
| SCHEMBL755549 | 0.81 | ACHE (0.42) | ALDH1A1CYP3A4POLBL3MBTL1TSHR | |
| SCHEMBL2123973 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP3A4IDO1EP300KAT8 | |
| SCHEMBL3365050 | 0.78 | IDO1 (0.45) | ALDH1A1CYP3A4IDO1EP300KAT8 | |
| SCHEMBL2656026 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP3A4IDO1EP300KAT8 | |
| SCHEMBL30505692 | 0.77 | ACHE (0.39) | ALDH1A1CYP3A4POLBL3MBTL1TSHR | |
| SCHEMBL61989 | 0.77 | ACHE (0.39) | ALDH1A1CYP3A4POLBL3MBTL1TSHR | |
| SCHEMBL8762135 | 0.77 | NQO2 (0.43) | ALDH1A1CYP3A4TDP1POLBL3MBTL1 | |
| SCHEMBL27677397 | 0.77 | IDO1 (0.44) | ALDH1A1CYP3A4IDO1EP300KAT8 | |
| SCHEMBL27982658 | 0.76 | CYP3A4 (0.48) | ALDH1A1CYP3A4TDP1POLBTSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115867557-B | Azepine condensed ring compound and medical application thereof | 中国医药研究开发中心有限公司 | 2025-02-18 | — | — | CN | disclosed |
| CN-115867557-A | Azepine fused ring compounds and medical application thereof | 中国医药研究开发中心有限公司 | 2023-03-28 | — | — | CN | disclosed |
| WO-2022237890-A1 | AZEPINE-TYPE FUSED RING COMPOUND AND PHARMACEUTICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2022-11-17 | — | — | WO | disclosed |