Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 6/20 | 0.60 |
| ▸ | CTSK | P43235 | 5/20 | 0.60 |
| ▸ | CTSL | P07711 | 4/20 | 0.60 |
| ▸ | CTSB | P07858 | 1/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.42 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 4/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 2/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
| ▸ | AXL | P30530 | 1/20 | 0.37 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.37 |
| ▸ | MERTK | Q12866 | 1/20 | 0.37 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8201088 | 0.99 | CTSS (0.59) | CTSSCTSKCTSLCTSBHDAC6 | |
| SCHEMBL14142813 | 0.94 | CTSS (0.54) | CTSSCTSKCTSLCTSBHDAC6 | |
| SCHEMBL14142743 | 0.93 | CTSS (0.53) | CTSSCTSKCTSLCTSBHDAC6 | |
| SCHEMBL8201079 | 0.93 | CTSS (0.53) | CTSSCTSKCTSLCTSBHDAC6 | |
| SCHEMBL8201535 | 0.93 | CTSS (0.55) | CTSSCTSKCTSLCTSBHDAC6 | |
| SCHEMBL3169214 | 0.91 | CTSS (0.61) | CTSSCTSKCTSLCTSBHDAC6 | |
| SCHEMBL3166864 | 0.90 | CTSS (0.60) | CTSSCTSKCTSLCTSBHDAC6 | |
| SCHEMBL3168779 | 0.90 | CTSS (0.71) | CTSSCTSKCTSLCTSBHDAC6 | |
| Hydrochloric Acid SCHEMBL3169383 | 0.89 | CTSS (0.70) | CTSSCTSKCTSLCTSBHDAC6 | |
| SCHEMBL3168821 | 0.89 | CTSS (0.70) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1947091-A1 | Pyrimidyl nitrile derivatives as cysteine protease inhibitors | GLAXO GROUP LIMITED (GB) | 2008-07-23 | — | — | EP | disclosed |