Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 8/20 | 0.41 |
| ▸ | CTSK | P43235 | 12/20 | 0.39 |
| ▸ | CTSS | P25774 | 8/20 | 0.39 |
| ▸ | CTSL | P07711 | 6/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CAPN1 | P07384 | 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 | |
|---|---|---|---|---|
| SCHEMBL7486617 | 0.89 | CTSB (0.45) | CTSBCTSKCTSSCTSLNPC1 | |
| SCHEMBL7043084 | 0.88 | CTSK (0.49) | CTSBCTSKCTSSCTSLNPC1 | |
| SCHEMBL7569982 | 0.81 | CTSB (0.44) | CTSBCTSKCTSSCTSLNPC1 | |
| SCHEMBL7539652 | 0.79 | CTSB (0.41) | CTSBCTSKCTSSCTSLNPC1 | |
| SCHEMBL7515230 | 0.78 | CTSB (0.52) | CTSBCTSKCTSSCTSLNPC1 | |
| SCHEMBL7540238 | 0.77 | CTSK (0.58) | CTSBCTSKCTSSCTSLNPC1 | |
| SCHEMBL7539033 | 0.77 | CTSB (0.44) | CTSBCTSKCTSSCTSLKDM4E | |
| SCHEMBL7450076 | 0.76 | CTSB (0.54) | CTSBCTSKCTSSCTSLNPC1 | |
| SCHEMBL6185994 | 0.76 | CTSB (0.54) | CTSBCTSKCTSSCTSLNPC1 | |
| SCHEMBL7450318 | 0.76 | CTSB (0.54) | CTSBCTSKCTSSCTSLKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001068645-A2 | N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-09-20 | — | — | WO | claimed |
| WO-2001068645-A2 | N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-09-20 | — | — | WO | disclosed |