Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ACE | P12821 | 6/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30874949 | 0.83 | ALDH1A1 (0.44) | ALDH1A1 | |
| SCHEMBL21696498 | 0.78 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL21696700 | 0.74 | F2 (0.43) | — | |
| SCHEMBL29777459 | 0.72 | ACE (0.55) | ACE | |
| SCHEMBL10656884 | 0.72 | ACE (0.55) | ACE | |
| SCHEMBL28982451 | 0.72 | EGLN3 (0.47) | ALDH1A1 | |
| SCHEMBL25284485 | 0.71 | ACE (0.59) | ACE | |
| SCHEMBL31265372 | 0.70 | ACE (0.57) | ACE | |
| SCHEMBL21122106 | 0.69 | ALDH1A1 (0.37) | ALDH1A1ACE | |
| SCHEMBL6787913 | 0.69 | ACE (0.58) | ACELMNACYP2C19HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5250517-A | Hypotensive and cardiotonic agents; cardiac insufficiency | HOFFMANN-LA ROCHE INC. (US) | 1993-10-05 | — | — | US | claimed |
| EP-0310918-A2 | Peptide-like amino-acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-04-12 | — | — | EP | disclosed |