Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 3/20 | 0.48 |
| ▸ | CTSS | P25774 | 2/20 | 0.48 |
| ▸ | CTSK | P43235 | 2/20 | 0.48 |
| ▸ | CTSL | P07711 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ECE1 | P42892 | 5/20 | 0.43 |
| ▸ | MME | P08473 | 4/20 | 0.43 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10716415 | 0.86 | CTSB (0.49) | CTSBCTSSCTSKCTSLALDH1A1 | |
| SCHEMBL10717446 | 0.85 | CTSB (0.52) | CTSBCTSSCTSKCTSLALDH1A1 | |
| SCHEMBL10718394 | 0.82 | ACE2 (0.58) | ECE1MMEACE2 | |
| SCHEMBL10717382 | 0.82 | CTSL (0.52) | CTSBCTSSCTSKCTSLECE1 | |
| SCHEMBL10715965 | 0.80 | ACE2 (0.53) | CTSBCTSSCTSKCTSLECE1 | |
| SCHEMBL7283423 | 0.79 | ACE2 (0.60) | CTSBCTSSCTSKCTSLECE1 | |
| SCHEMBL10716071 | 0.78 | ACE2 (0.67) | ECE1MMEACE2 | |
| SCHEMBL23881976 | 0.78 | ECE1 (0.53) | CTSBCTSSCTSKCTSLALDH1A1 | |
| SCHEMBL10716019 | 0.78 | CTSB (0.53) | CTSBCTSSCTSKCTSLALDH1A1 | |
| SCHEMBL10718352 | 0.77 | CTSB (0.50) | CTSBCTSSCTSKCTSLALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0209848-A2 | Enzyme inhibitors | MERCK & CO. INC. (US) | 1987-01-28 | — | — | EP | disclosed |