Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 15/20 | 0.50 |
| ▸ | CTSL | P07711 | 9/20 | 0.44 |
| ▸ | CTSS | P25774 | 9/20 | 0.44 |
| ▸ | CTSK | P43235 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 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 | |
|---|---|---|---|---|
| SCHEMBL6218646 | 0.85 | CTSS (0.51) | CTSBCTSLCTSSCTSK | |
| SCHEMBL6218643 | 0.85 | CTSS (0.51) | CTSBCTSLCTSSCTSK | |
| SCHEMBL7009547 | 0.83 | GAA (0.42) | CTSLCTSSGAAMAPTSMN1; SMN2 | |
| SCHEMBL8326965 | 0.70 | CTSC (0.56) | CTSBCTSLCTSSCTSK | |
| SCHEMBL6216751 | 0.70 | CTSB (0.61) | CTSBCTSLCTSSCTSK | |
| SCHEMBL6216747 | 0.70 | CTSB (0.61) | CTSBCTSLCTSSCTSK | |
| SCHEMBL6021248 | 0.70 | CTSS (0.62) | CTSBCTSLCTSSCTSK | |
| SCHEMBL2484444 | 0.68 | EPHX1 (0.39) | CTSLCTSSCTSKSMN1; SMN2NPC1 | |
| SCHEMBL13192483 | 0.68 | SMN1; SMN2 (0.68) | GAAMAPTSMN1; SMN2RAB9A | |
| SCHEMBL6021429 | 0.67 | CTSS (0.64) | CTSBCTSLCTSSCTSK |
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-1283825-A1 | N-SUBSTITUTED PEPTIDYL NITRILES AS CYSTEINE CATHEPSIN INHIBITORS | Novartis AG (CH) | 2003-02-19 | — | — | EP | disclosed |
| WO-2001087828-A1 | N-SUBSTITUTED PEPTIDYL NITRILES AS CYSTEINE CATHEPSIN INHIBITORS | NOVARTIS AG (CH) | 2001-11-22 | — | — | WO | disclosed |