Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 7/20 | 0.41 |
| ▸ | CTSS | P25774 | 5/20 | 0.41 |
| ▸ | CTSB | P07858 | 3/20 | 0.41 |
| ▸ | CTSK | P43235 | 3/20 | 0.41 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3897625 | 0.95 | CTSL (0.44) | CTSLCTSSCTSBCTSKPSMB1 | |
| SCHEMBL3902977 | 0.94 | CTSL (0.41) | CTSLCTSSCTSBCTSK | |
| SCHEMBL3895094 | 0.89 | CTSL (0.44) | CTSLCTSSCTSBCTSK | |
| SCHEMBL3896939 | 0.87 | CTSL (0.42) | CTSLCTSSCTSBCTSKPSMB1 | |
| SCHEMBL3903294 | 0.85 | CTSL (0.46) | CTSLCTSSCTSBCTSKPSMB1 | |
| SCHEMBL3894471 | 0.85 | CTSS (0.46) | CTSLCTSSCTSBCTSKALDH1A1 | |
| SCHEMBL13937970 | 0.85 | CTSS (0.46) | CTSLCTSSCTSBCTSKALDH1A1 | |
| SCHEMBL3895032 | 0.84 | CTSL (0.43) | CTSLCTSSCTSBCTSK | |
| SCHEMBL3898205 | 0.83 | CTSL (0.45) | CTSLCTSSCTSBCTSK | |
| SCHEMBL3898431 | 0.83 | CTSL (0.50) | CTSLCTSSCTSBCTSK |
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-1399431-B1 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2009-02-18 | — | — | EP | claimed |