Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 7/20 | 0.54 |
| ▸ | CTSL | P07711 | 3/20 | 0.50 |
| ▸ | CTSS | P25774 | 3/20 | 0.50 |
| ▸ | CTSK | P43235 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 11/20 | 0.47 |
| ▸ | NPC1 | O15118 | 10/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6185994 | 1.00 | CTSB (0.54) | CTSBCTSLCTSSCTSKKDM4E | |
| SCHEMBL7450318 | 0.90 | CTSB (0.54) | CTSBCTSLCTSSCTSKKDM4E | |
| SCHEMBL7515230 | 0.87 | CTSB (0.52) | CTSBCTSLCTSSCTSKKDM4E | |
| SCHEMBL7486512 | 0.85 | CTSB (0.50) | CTSBCTSLCTSSCTSKRAB9A | |
| SCHEMBL7494273 | 0.84 | CTSB (0.50) | CTSBCTSLCTSSCTSKKDM4E | |
| SCHEMBL7490691 | 0.83 | CTSB (0.51) | CTSBCTSLCTSSCTSKALDH1A1 | |
| SCHEMBL6185539 | 0.83 | CTSB (0.68) | CTSBCTSLCTSSCTSKKDM4E | |
| SCHEMBL6183146 | 0.83 | CTSB (0.68) | CTSBCTSLCTSSCTSKKDM4E | |
| SCHEMBL7540238 | 0.83 | CTSK (0.58) | CTSBCTSLCTSSCTSKRAB9A | |
| SCHEMBL7483503 | 0.83 | CTSB (0.50) | CTSBCTSLCTSSCTSKRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1161415-A2 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000055126-A2 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |