Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 11/20 | 0.66 |
| ▸ | ACE2 | Q9BYF1 | 6/20 | 0.66 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.57 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.57 |
| ▸ | CMA1 | P23946 | 4/20 | 0.52 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.51 |
| ▸ | REN | P00797 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11124578 | 1.00 | ACE (0.66) | ACEACE2ADORA3ADORA2AADORA2B | |
| Water SCHEMBL11123849 | 0.99 | ACE (0.65) | ACEACE2ADORA3ADORA2AADORA2B | |
| SCHEMBL11121801 | 0.91 | ACE (0.70) | ACEACE2KLK5REN | |
| SCHEMBL11121798 | 0.91 | ACE (0.70) | ACEACE2KLK5REN | |
| SCHEMBL7321218 | 0.90 | ACE (0.60) | ACEACE2ADORA3ADORA2AADORA2B | |
| SCHEMBL11122057 | 0.90 | ACE (0.65) | ACEACE2CMA1KLK5 | |
| SCHEMBL11122051 | 0.90 | ACE (0.65) | ACEACE2CMA1KLK5 | |
| SCHEMBL11124339 | 0.90 | ACE (0.81) | ACEACE2REN | |
| SCHEMBL11124347 | 0.90 | ACE (0.81) | ACEACE2REN | |
| SCHEMBL11279585 | 0.90 | ACE (0.81) | ACEACE2REN |
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 |
|---|---|---|---|---|---|---|---|
| EP-0045161-B1 | AMIDES OF 4-OXO-5-AMIDOHEXANOIC ACID DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-03-14 | — | — | EP | disclosed |
| EP-0053017-A1 | Amide derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-06-02 | — | — | EP | disclosed |
| EP-0045161-A1 | Amides of 4-oxo-5-amidohexanoic acid derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-02-03 | — | — | EP | disclosed |