Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 12/20 | 0.70 |
| ▸ | ACE2 | Q9BYF1 | 6/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | REN | P00797 | 1/20 | 0.54 |
| ▸ | PREP | P48147 | 2/20 | 0.51 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.50 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11121798 | 1.00 | ACE (0.70) | ACEACE2ALDH1A1CYP3A4TSHR | |
| SCHEMBL11279585 | 0.93 | ACE (0.81) | ACEACE2REN | |
| SCHEMBL11124339 | 0.93 | ACE (0.81) | ACEACE2REN | |
| SCHEMBL11124347 | 0.93 | ACE (0.81) | ACEACE2REN | |
| SCHEMBL11124576 | 0.91 | ACE (0.66) | ACEACE2RENKLK5 | |
| SCHEMBL11124578 | 0.91 | ACE (0.66) | ACEACE2RENKLK5 | |
| Water SCHEMBL11123849 | 0.91 | ACE (0.65) | ACEACE2RENPREPKLK5 | |
| SCHEMBL7303514 | 0.90 | ACE (0.64) | ACEACE2ALDH1A1CYP3A4TSHR | |
| SCHEMBL18620591 | 0.90 | ACE (0.64) | ACEACE2ALDH1A1CYP3A4TSHR | |
| SCHEMBL11277937 | 0.90 | ACE (0.87) | ACEACE2ALDH1A1CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0045161-B1 | AMIDES OF 4-OXO-5-AMIDOHEXANOIC ACID DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-03-14 | — | — | EP | disclosed |
| EP-0045161-A1 | Amides of 4-oxo-5-amidohexanoic acid derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-02-03 | — | — | EP | disclosed |