Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 13/20 | 0.40 |
| ▸ | CTSL | P07711 | 6/20 | 0.40 |
| ▸ | CTSK | P43235 | 5/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | PADI1 | Q9ULC6 | 1/20 | 0.31 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.31 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7527107 | 1.00 | CTSS (0.40) | CTSSCTSLCTSKCTSBPADI1 | |
| SCHEMBL5357398 | 0.82 | CTSS (0.61) | CTSSCTSLCTSKCTSB | |
| SCHEMBL5364151 | 0.82 | CTSS (0.61) | CTSSCTSLCTSKCTSB | |
| SCHEMBL5357393 | 0.82 | CTSS (0.61) | CTSSCTSLCTSKCTSB | |
| SCHEMBL5364157 | 0.82 | CTSS (0.61) | CTSSCTSLCTSKCTSB | |
| SCHEMBL7527114 | 0.81 | CTSS (0.35) | CTSSCTSLCTSKCTSBPADI1 | |
| SCHEMBL5357100 | 0.77 | CTSS (0.59) | CTSSCTSLCTSKCTSB | |
| SCHEMBL5357095 | 0.77 | CTSS (0.59) | CTSSCTSLCTSKCTSB | |
| SCHEMBL5361677 | 0.77 | CTSS (0.59) | CTSSCTSLCTSKCTSB | |
| SCHEMBL5361681 | 0.77 | CTSS (0.59) | CTSSCTSLCTSKCTSB |
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 |