Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 14/20 | 0.42 |
| ▸ | CTSL | P07711 | 12/20 | 0.42 |
| ▸ | CTSK | P43235 | 8/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6688737 | 0.87 | CTSS (0.47) | TDP1L3MBTL1EPHX2CTSSCTSL | |
| SCHEMBL6685718 | 0.82 | TDP1 (0.48) | TDP1L3MBTL1EPHX2EPHX1CTSS | |
| SCHEMBL6690872 | 0.80 | CTSS (0.53) | TDP1L3MBTL1CTSSCTSLCTSK | |
| SCHEMBL6691227 | 0.74 | CTSS (0.48) | EPHX2EPHX1CTSSCTSLCTSK | |
| SCHEMBL6685630 | 0.73 | NPC1 (0.51) | EPHX2CTSSCTSLCTSK | |
| SCHEMBL6685626 | 0.73 | CTSS (0.47) | CTSSCTSLCTSK | |
| SCHEMBL6686940 | 0.72 | CTSS (0.56) | EPHX2CTSSCTSLCTSKSCN9A | |
| SCHEMBL6688734 | 0.72 | CTSS (0.57) | CTSSCTSLCTSK | |
| SCHEMBL6689998 | 0.72 | EPHX1 (0.48) | TDP1L3MBTL1EPHX1 | |
| SCHEMBL6689357 | 0.70 | CTSS (0.50) | EPHX2EPHX1CTSSCTSLCTSK |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004084843-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-10-07 | — | — | WO | disclosed |