Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 10/20 | 0.48 |
| ▸ | CTSL | P07711 | 6/20 | 0.42 |
| ▸ | CTSB | P07858 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3615924 | 0.76 | CTSS (0.40) | CTSSCTSLCTSBCTSKMCL1 | |
| SCHEMBL3621517 | 0.73 | CTSK (0.39) | CTSSCTSLCTSBCTSK | |
| SCHEMBL3615923 | 0.71 | CTSS (0.47) | CTSSCTSLCTSBCTSK | |
| SCHEMBL13504861 | 0.69 | CTSS (0.60) | CTSSCTSLCTSBCTSK | |
| SCHEMBL3621514 | 0.69 | CTSS (0.60) | CTSSCTSLCTSBCTSK | |
| SCHEMBL5604851 | 0.68 | CTSK (0.39) | CTSSCTSLCTSBCTSK | |
| SCHEMBL14399470 | 0.66 | ALDH1A1 (0.51) | ALDH1A1MAPTKMT2A | |
| SCHEMBL12580250 | 0.66 | ALDH1A1 (0.51) | ALDH1A1MAPTKMT2A | |
| SCHEMBL10612693 | 0.66 | CTSS (0.66) | CTSSCTSLCTSBALDH1A1MAPT | |
| SCHEMBL6181694 | 0.65 | ALDH1A1 (0.64) | CTSSALDH1A1 |
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-2004108661-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS (US) | 2004-12-16 | — | — | WO | disclosed |