Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 12/20 | 0.46 |
| ▸ | CTSL | P07711 | 8/20 | 0.46 |
| ▸ | CTSB | P07858 | 5/20 | 0.46 |
| ▸ | CTSK | P43235 | 3/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 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 | |
|---|---|---|---|---|
| SCHEMBL7414894 | 0.86 | CTSS (0.45) | CTSSCTSLCTSBCTSKBACE1 | |
| SCHEMBL7014338 | 0.85 | CTSS (0.44) | CTSSCTSLCTSBCTSKUSP30 | |
| SCHEMBL7415423 | 0.85 | CTSS (0.43) | CTSSCTSLCTSBCTSKBACE1 | |
| SCHEMBL7419135 | 0.85 | CTSS (0.45) | CTSSCTSLCTSBCTSKCHRNB2 | |
| SCHEMBL7414878 | 0.84 | BACE1 (0.41) | CTSSBACE1 | |
| SCHEMBL7417185 | 0.80 | CTSL (0.57) | CTSSCTSLCTSBCTSKUSP30 | |
| SCHEMBL7417228 | 0.80 | CTSL (0.44) | CTSSCTSLCTSBCTSK | |
| SCHEMBL7422431 | 0.79 | CTSS (0.47) | CTSSCTSLCTSBCTSK | |
| SCHEMBL7410718 | 0.76 | CTSS (0.47) | CTSSCTSLCTSBCTSKUSP30 | |
| SCHEMBL7414674 | 0.76 | CTSS (0.45) | CTSSCTSLCTSBCTSKUSP30 |
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 |