Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 5/20 | 0.79 |
| ▸ | MME | P08473 | 4/20 | 0.79 |
| ▸ | LCK | P06239 | 9/20 | 0.53 |
| ▸ | CASP1 | P29466 | 5/20 | 0.51 |
| ▸ | IL1B | P01584 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9312905 | 1.00 | ACE (0.79) | ACEMMELCKCASP1IL1B | |
| SCHEMBL7342051 | 0.89 | ACE (1.00) | ACEMME | |
| SCHEMBL7374154 | 0.86 | ACE (0.78) | ACEMME | |
| SCHEMBL7351462 | 0.86 | ACE (0.78) | ACEMME | |
| SCHEMBL8800770 | 0.84 | ACE (0.73) | ACEMMELCKCASP1 | |
| SCHEMBL7346482 | 0.84 | ACE (0.73) | ACEMMELCKCASP1 | |
| SCHEMBL9313548 | 0.84 | ACE (0.73) | ACEMMELCKCASP1 | |
| SCHEMBL7350228 | 0.84 | ACE (0.73) | ACEMMELCKCASP1 | |
| SCHEMBL10369224 | 0.82 | ACE (0.70) | ACEMMELCKCASP1IL1B | |
| SCHEMBL7380923 | 0.82 | ACE (1.00) | ACEMME |
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-0640086-B1 | MERCAPTOACETYLAMIDO PYRIDAZO[ 1,2-a][1,2]DIAZEPINE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE | MERRELL PHARMA INC (US) | 1999-08-04 | — | — | EP | disclosed |
| US-5366973-A | Enkephalinase inhibitors, bradykinin inhibitors or inhibitors of angiotensin converting enzymes as analgesics, diuretics or hypotensive agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-11-22 | — | — | US | disclosed |