Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 14/20 | 0.40 |
| ▸ | CTSL | P07711 | 12/20 | 0.40 |
| ▸ | CTSK | P43235 | 7/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7007584 | 0.91 | CTSL (0.51) | CTSSCTSLCTSKCTSB | |
| SCHEMBL7004000 | 0.90 | CTSS (0.50) | CTSSCTSLCTSKCTSB | |
| SCHEMBL7010006 | 0.81 | CTSS (0.49) | CTSSCTSLCTSKCTSBCPB2 | |
| SCHEMBL5364076 | 0.80 | CTSS (0.55) | CTSSCTSLCTSKCTSB | |
| SCHEMBL14383655 | 0.80 | CTSS (0.55) | CTSSCTSLCTSKCTSB | |
| SCHEMBL5364084 | 0.80 | CTSS (0.55) | CTSSCTSLCTSKCTSB | |
| SCHEMBL7417783 | 0.73 | CTSS (0.42) | CTSSCTSLCTSKCTSBCPB2 | |
| SCHEMBL7536451 | 0.72 | LONP1 (0.41) | CTSSCTSLCTSKCTSB | |
| SCHEMBL7527107 | 0.72 | CTSS (0.40) | CTSSCTSLCTSKCTSBCPB2 | |
| SCHEMBL7527110 | 0.72 | CTSS (0.40) | CTSSCTSLCTSKCTSBCPB2 |
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 |