Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 19/20 | 0.59 |
| ▸ | CTSL | P07711 | 5/20 | 0.52 |
| ▸ | CTSB | P07858 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13938106 | 0.80 | CTSS (0.70) | CTSSCTSLCTSBCTSK | |
| SCHEMBL3896887 | 0.78 | CTSS (0.67) | CTSSCTSLCTSBCTSK | |
| SCHEMBL3895854 | 0.78 | CTSS (0.61) | CTSSCTSLCTSBCTSK | |
| SCHEMBL3897437 | 0.77 | CTSS (0.73) | CTSSCTSLCTSBCTSK | |
| SCHEMBL3906513 | 0.77 | CTSS (0.66) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6565450 | 0.77 | CTSS (0.47) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6567031 | 0.76 | CTSS (0.45) | CTSSCTSLCTSBMEN1KMT2A | |
| SCHEMBL3896973 | 0.76 | CTSS (0.62) | CTSSCTSLCTSB | |
| SCHEMBL3895960 | 0.76 | CTSS (0.61) | CTSSCTSLCTSB | |
| SCHEMBL3898082 | 0.76 | CTSS (0.64) | CTSSCTSLCTSBMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |