Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 5/20 | 0.51 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | CTSK | P43235 | 2/20 | 0.46 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 6/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | VCP | P55072 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | MPL | P40238 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7486512 | 0.97 | CTSB (0.50) | CTSBCTSLCTSSCTSKCSNK2A1 | |
| SCHEMBL7515230 | 0.88 | CTSB (0.52) | CTSBCTSLCTSSCTSKNPC1 | |
| SCHEMBL6181728 | 0.85 | ALOX5 (0.43) | CSNK2A1NPC1RAB9AMAPTMEN1 | |
| SCHEMBL7483503 | 0.85 | CTSB (0.50) | CTSBCTSLCTSSCTSKNPC1 | |
| SCHEMBL6183917 | 0.85 | CTSB (0.58) | CTSBCTSLCTSSCTSKCSNK2A1 | |
| SCHEMBL7506517 | 0.85 | NPC1 (0.51) | CTSBCTSLCTSSCTSKNPC1 | |
| SCHEMBL6185994 | 0.83 | CTSB (0.54) | CTSBCTSLCTSSCTSKNPC1 | |
| SCHEMBL7450318 | 0.83 | CTSB (0.54) | CTSBCTSLCTSSCTSKALDH1A1 | |
| SCHEMBL7450076 | 0.83 | CTSB (0.54) | CTSBCTSLCTSSCTSKNPC1 | |
| SCHEMBL6184002 | 0.82 | CTSB (0.60) | CTSBCTSLCTSSCTSKCSNK2A1 |
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-2001068645-A2 | N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-09-20 | — | — | WO | disclosed |