Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 17/20 | 0.60 |
| ▸ | CTSL | P07711 | 2/20 | 0.51 |
| ▸ | CTSB | P07858 | 1/20 | 0.51 |
| ▸ | CTSC | P53634 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7545314 | 0.88 | CTSS (0.62) | CTSSCTSLCTSBCTSC | |
| SCHEMBL7393568 | 0.85 | CTSS (0.60) | CTSSCTSLCTSBCTSC | |
| SCHEMBL7539922 | 0.83 | CTSS (0.62) | CTSSCTSLCTSBCTSCALDH1A1 | |
| SCHEMBL8696250 | 0.81 | MMP2 (0.42) | CTSSCTSLCTSBCTSCALDH1A1 | |
| SCHEMBL8696245 | 0.81 | MMP2 (0.42) | CTSSCTSLCTSBCTSCALDH1A1 | |
| SCHEMBL8696240 | 0.81 | MMP2 (0.42) | CTSSCTSLCTSBCTSCALDH1A1 | |
| SCHEMBL7358322 | 0.80 | CTSL (0.62) | CTSSCTSLCTSBCTSC | |
| SCHEMBL7358323 | 0.80 | CTSL (0.62) | CTSSCTSLCTSBCTSC | |
| SCHEMBL7358325 | 0.80 | CTSL (0.62) | CTSSCTSLCTSBCTSC | |
| SCHEMBL7362208 | 0.80 | CTSL (0.57) | CTSSCTSLCTSBCTSC |
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-1159273-A1 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000051998-A1 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-09-08 | — | — | WO | disclosed |