Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | GLS | O94925 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL16175739 | 0.82 | NPSR1 (0.36) | ALDH1A1L3MBTL1POLBMAPK1MAPT | |
| SCHEMBL5260538 | 0.79 | NOS3 (0.52) | NOS3NOS2MBOAT4ALDH1A1L3MBTL1 | |
| SCHEMBL24258965 | 0.79 | NOS3 (0.41) | NOS3NOS2MBOAT4ALDH1A1L3MBTL1 | |
| SCHEMBL8344179 | 0.78 | NOS3 (0.43) | NOS3NOS2MBOAT4ALDH1A1L3MBTL1 | |
| SCHEMBL28051967 | 0.78 | NOS3 (0.43) | NOS3NOS2MBOAT4ALDH1A1L3MBTL1 | |
| SCHEMBL30947610 | 0.77 | NOS3 (0.53) | NOS3NOS2MBOAT4ALDH1A1L3MBTL1 | |
| SCHEMBL1821486 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL1443247 | 0.76 | NOS3 (0.57) | NOS3NOS2MBOAT4ALDH1A1L3MBTL1 | |
| SCHEMBL1843485 | 0.76 | NOS3 (0.52) | NOS3NOS2MBOAT4ALDH1A1L3MBTL1 | |
| SCHEMBL24442286 | 0.76 | NOS3 (0.52) | NOS3NOS2MBOAT4ALDH1A1L3MBTL1 |
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-2022210479-A1 | USE OF AZEPANE DERIVATIVE FOR TREATMENT, AMELIORATION OR PREVENTION OF κ-OPIOID RECEPTOR-RELATED DISEASES | 日本ケミファ株式会社 | 2022-10-06 | — | — | WO | disclosed |
| CN-114761082-A | Azepane derivatives | 日本化学药品株式会社 | 2022-07-15 | — | — | CN | disclosed |