Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 5/20 | 0.68 |
| ▸ | CTSK | P43235 | 5/20 | 0.68 |
| ▸ | CTSL | P07711 | 4/20 | 0.68 |
| ▸ | CTSB | P07858 | 1/20 | 0.68 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CXCR3 | P49682 | 4/20 | 0.38 |
| ▸ | TBK1 | Q9UHD2 | 3/20 | 0.37 |
| ▸ | IKBKE | Q14164 | 2/20 | 0.35 |
| ▸ | ITK | Q08881 | 1/20 | 0.35 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.35 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL5590944 | 0.97 | CTSS (0.68) | CTSSCTSKCTSLCTSBHDAC6 | |
| Trifluoroacetic Acid SCHEMBL5591206 | 0.95 | CTSS (0.62) | CTSSCTSKCTSLCTSBHDAC6 | |
| SCHEMBL5591423 | 0.94 | CTSS (0.76) | CTSSCTSKCTSLCTSBHDAC6 | |
| SCHEMBL5591471 | 0.93 | CTSS (0.69) | CTSSCTSKCTSLCTSBHDAC6 | |
| Trifluoroacetic Acid SCHEMBL5591334 | 0.93 | CTSS (0.62) | CTSSCTSKCTSLCTSBHDAC6 | |
| SCHEMBL5591269 | 0.90 | CTSL (0.57) | CTSSCTSKCTSLCTSBCXCR3 | |
| SCHEMBL5591415 | 0.90 | CTSS (0.67) | CTSSCTSKCTSLCTSBHDAC6 | |
| SCHEMBL5591425 | 0.90 | CTSS (0.67) | CTSSCTSKCTSLCTSBHDAC6 | |
| Trifluoroacetic Acid SCHEMBL5591441 | 0.89 | CTSS (0.69) | CTSSCTSKCTSLCTSBHDAC6 | |
| SCHEMBL5591221 | 0.89 | CTSS (0.56) | CTSSCTSKCTSLCTSBHDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007025774-A2 | CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2007-03-08 | — | — | WO | disclosed |
| WO-2007025774-A2 | CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2007-03-08 | — | — | WO | disclosed |