Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GGPS1 | O95749 | 2/20 | 0.36 |
| ▸ | FDPS | P14324 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 11/20 | 0.34 |
| ▸ | CTSK | P43235 | 9/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 6/20 | 0.33 |
| ▸ | CTSB | P07858 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17468960 | 0.81 | CTSK (0.41) | GGPS1FDPSCTSSCTSKMCL1 | |
| SCHEMBL15055259 | 0.79 | KDM4E (0.38) | GGPS1FDPSCYP2D6CYP2C19 | |
| SCHEMBL5524177 | 0.78 | CTSS (0.35) | GGPS1FDPSCYP2D6CYP2C19CTSS | |
| SCHEMBL7611985 | 0.77 | GGPS1 (0.36) | GGPS1FDPSCYP2D6CYP2C19 | |
| SCHEMBL6186047 | 0.75 | NPC1 (0.45) | CYP2C19 | |
| SCHEMBL6181806 | 0.75 | CTSS (0.57) | CTSSCTSKCTSLCTSB | |
| SCHEMBL7452326 | 0.75 | SMN1; SMN2 (0.42) | CYP2C19CTSSCTSKCTSLCTSB | |
| SCHEMBL6184476 | 0.75 | GNAI3 (0.45) | CTSSCTSKCTSLCTSB | |
| SCHEMBL7554411 | 0.75 | EPHX2 (0.50) | CYP2C19CTSSCTSL | |
| SCHEMBL6182799 | 0.75 | LMNA (0.45) | CYP2C19CTSSCTSKCTSLCTSB |
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 |