Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 11/20 | 0.39 |
| ▸ | CTSL | P07711 | 8/20 | 0.39 |
| ▸ | PPARA | Q07869 | 5/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL3724313 | 0.86 | CTSS (0.38) | CTSSCTSLPPARAPPARGPPARD | |
| SCHEMBL3066400 | 0.85 | CTSS (0.46) | CTSSCTSLPPARAPPARGPPARD | |
| SCHEMBL3066389 | 0.85 | CTSS (0.46) | CTSSCTSLPPARAPPARGPPARD | |
| SCHEMBL3066391 | 0.85 | CTSS (0.46) | CTSSCTSLPPARAPPARGPPARD | |
| SCHEMBL3727566 | 0.84 | CTSS (0.37) | CTSSCTSLPPARAPPARGPPARD | |
| SCHEMBL3715962 | 0.76 | SLC1A3 (0.46) | CTSSALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3798567 | 0.76 | CTSS (0.49) | CTSSCTSLPPARAPPARGPPARD | |
| SCHEMBL3802602 | 0.76 | CTSS (0.49) | CTSSCTSLPPARAPPARGPPARD | |
| SCHEMBL3796086 | 0.76 | CTSS (0.49) | CTSSCTSLPPARAPPARGPPARD | |
| SCHEMBL3793817 | 0.76 | CTSS (0.49) | CTSSCTSLPPARAPPARGPPARD |
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-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |