Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 11/20 | 0.35 |
| ▸ | CTSL | P07711 | 11/20 | 0.35 |
| ▸ | CTSB | P07858 | 8/20 | 0.35 |
| ▸ | CTSK | P43235 | 6/20 | 0.35 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.31 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7021496 | 0.90 | CTSS (0.41) | CTSSCTSLCTSBCTSKSLC1A3 | |
| SCHEMBL7018986 | 0.85 | CTSS (0.43) | CTSSCTSLCTSBCTSKSLC1A3 | |
| SCHEMBL7021621 | 0.79 | RXFP1 (0.34) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6565858 | 0.79 | NR1H4 (0.36) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6565033 | 0.73 | NR1H4 (0.37) | — | |
| SCHEMBL7021490 | 0.72 | CTSK (0.56) | CTSSCTSLCTSBCTSK | |
| SCHEMBL7435739 | 0.71 | NR1H4 (0.35) | CTSSCTSLCTSBCTSK | |
| SCHEMBL7420196 | 0.69 | CTSS (0.36) | CTSSCTSLCTSBCTSK | |
| SCHEMBL7419101 | 0.69 | CTSS (0.53) | CTSSCTSLCTSBCTSK | |
| SCHEMBL7416910 | 0.69 | CTSS (0.33) | CTSSCTSLCTSBCTSK |
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-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |