Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPEP | Q07075 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7273942 | 1.00 | ENPEP (0.39) | ENPEPALDH1A1L3MBTL1CYP2D6CYP2C19 | |
| SCHEMBL30700134 | 0.83 | ALDH1A1 (0.41) | ENPEPALDH1A1L3MBTL1 | |
| SCHEMBL28775547 | 0.83 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1CYP2D6CYP2C19 | |
| SCHEMBL3154720 | 0.83 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1CYP2D6CYP2C19 | |
| SCHEMBL1431776 | 0.81 | CYP2D6 (0.39) | CYP2D6CYP2C19 | |
| SCHEMBL6670493 | 0.81 | CYP2D6 (0.39) | CYP2D6CYP2C19 | |
| SCHEMBL28629617 | 0.78 | ENPEP (0.38) | ENPEPALDH1A1L3MBTL1 | |
| SCHEMBL9193247 | 0.77 | ENPEP (0.40) | ENPEPALDH1A1L3MBTL1 | |
| SCHEMBL10448382 | 0.77 | CA1 (0.41) | ENPEPALDH1A1L3MBTL1 | |
| SCHEMBL10448380 | 0.77 | CA1 (0.41) | ENPEPALDH1A1L3MBTL1 |
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-5446161-A | Protease inhibitor, viricides | HOFFMANN-LA ROCHE INC. (US) | 1995-08-29 | — | — | US | disclosed |
| EP-0346847-A2 | Amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-12-20 | — | — | EP | disclosed |