Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5931850 | 0.86 | CYP19A1 (0.51) | SLC6A2SLC6A4SLC6A3CFTRGOPC | |
| SCHEMBL29860023 | 0.86 | CYP19A1 (0.51) | SLC6A2SLC6A4SLC6A3CFTRGOPC | |
| Hydrochloric Acid SCHEMBL7430901 | 0.84 | CYP19A1 (0.50) | SLC6A2SLC6A4SLC6A3CFTRGOPC | |
| SCHEMBL5032376 | 0.84 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3SMN1; SMN2MEN1 | |
| Hydrochloric Acid SCHEMBL6236383 | 0.82 | CYP19A1 (0.49) | SLC6A2SLC6A4SLC6A3CFTRGOPC | |
| Bromide SCHEMBL6754281 | 0.82 | SMN1; SMN2 (0.44) | SLC6A2SLC6A4SLC6A3SMN1; SMN2MEN1 | |
| SCHEMBL17842425 | 0.78 | SLC6A2 (0.48) | SLC6A2SLC6A4SLC6A3CFTRGOPC | |
| SCHEMBL7073817 | 0.74 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3CFTRGOPC | |
| SCHEMBL1507962 | 0.71 | CYP19A1 (0.73) | SLC6A2SLC6A4SLC6A3CFTRGOPC | |
| SCHEMBL29095977 | 0.71 | SLC6A3 (0.75) | SLC6A2SLC6A4SLC6A3CFTRGOPC |
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-1434769-A2 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2004-07-07 | — | — | EP | disclosed |
| WO-2003029200-A2 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2003-04-10 | — | — | WO | disclosed |