Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 13/20 | 0.48 |
| ▸ | CTSK | P43235 | 12/20 | 0.48 |
| ▸ | CTSL | P07711 | 4/20 | 0.40 |
| ▸ | CTSB | P07858 | 3/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6660147 | 0.95 | CTSS (0.47) | CTSSCTSKCTSLCTSB | |
| SCHEMBL6048161 | 0.81 | CTSS (0.46) | CTSSCTSKCTSLCTSB | |
| SCHEMBL20027759 | 0.70 | JAK3 (0.51) | CTSSCTSKCTSLCTSB | |
| SCHEMBL24856016 | 0.70 | JAK3 (0.51) | CTSSCTSKCTSLCTSB | |
| SCHEMBL24325842 | 0.70 | JAK3 (0.51) | CTSSCTSKCTSLCTSB | |
| SCHEMBL7984262 | 0.70 | PTPN1 (0.51) | CTSSCTSKCTSLCTSBCACNA1B | |
| Bicarbonate SCHEMBL3817405 | 0.69 | HDAC4 (0.64) | CTSSCTSKCTSLCTSBHDAC4 | |
| SCHEMBL6048166 | 0.69 | CTSK (0.38) | CTSSCTSKCTSLCTSB | |
| SCHEMBL13337676 | 0.69 | CTSK (0.66) | CTSSCTSKCTSLCTSBHDAC4 | |
| SCHEMBL1360500 | 0.68 | CTSK (0.51) | CTSSCTSKCTSLCTSB |
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 |