Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 4/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.48 |
| ▸ | BCL2 | P10415 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 4/20 | 0.42 |
| ▸ | CTSK | P43235 | 4/20 | 0.42 |
| ▸ | HRH2 | P25021 | 3/20 | 0.42 |
| ▸ | HRH1 | P35367 | 3/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12372028 | 0.92 | CTSL (0.55) | CTSLHDAC8ITGB3ITGA2BBCL2 | |
| SCHEMBL12370557 | 0.84 | CTSL (0.81) | CTSLHDAC8ITGB3ITGA2BBCL2 | |
| SCHEMBL12370592 | 0.81 | CTSL (0.64) | CTSLHDAC8ITGB3ITGA2BBCL2 | |
| SCHEMBL12371613 | 0.76 | ITGB3 (0.46) | CTSLHDAC8ITGB3ITGA2BBCL2 | |
| SCHEMBL12371614 | 0.75 | CTSL (0.67) | CTSLITGB3ITGA2BBCL2CTSK | |
| SCHEMBL11684068 | 0.75 | CTSS (0.64) | CTSLHDAC8ITGB3ITGA2BBCL2 | |
| SCHEMBL12372026 | 0.75 | CTSL (0.60) | CTSLHDAC8ITGB3ITGA2BBCL2 | |
| SCHEMBL12371562 | 0.75 | CTSL (0.50) | CTSLHDAC8ITGB3ITGA2BBCL2 | |
| SCHEMBL6685168 | 0.75 | ITGB3 (0.79) | HDAC8ITGB3ITGA2BPTPN1 | |
| SCHEMBL6998950 | 0.75 | ITGB3 (0.79) | HDAC8ITGB3ITGA2BPTPN1 |
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-2009136997-A2 | INHIBITORS OF HUMAN CATHEPSIN L, CATHEPSIN B, AND CATHEPSIN S | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2009-11-12 | — | — | WO | disclosed |