Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 11/20 | 0.43 |
| ▸ | CTSS | P25774 | 2/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 7/20 | 0.40 |
| ▸ | CCR3 | P51677 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6690876 | 0.90 | DRD4 (0.38) | DRD4CTSSCTSLCTSKNPC1 | |
| SCHEMBL6693429 | 0.88 | DRD4 (0.39) | DRD4CTSSCTSLCTSKNPC1 | |
| SCHEMBL6698515 | 0.86 | DRD4 (0.39) | DRD4CTSSCTSLCTSKNPC1 | |
| SCHEMBL6687345 | 0.79 | CTSS (0.45) | DRD4CTSSCTSLCTSKNPC1 | |
| SCHEMBL6688064 | 0.78 | CTSS (0.42) | DRD4CTSSCTSLCTSKNPC1 | |
| SCHEMBL6688719 | 0.74 | DRD4 (0.38) | DRD4CTSSCTSLCTSKNPC1 | |
| SCHEMBL6688100 | 0.74 | CTSS (0.41) | CTSSCTSLCTSKNPC1CCR3 | |
| SCHEMBL6690325 | 0.74 | CTSS (0.46) | DRD4CTSSCTSLCTSKNPC1 | |
| SCHEMBL6689425 | 0.73 | HDAC8 (0.42) | DRD4CTSSCTSLCTSKNPC1 | |
| SCHEMBL6691040 | 0.72 | CTSS (0.44) | DRD4CTSSCTSLCTSKCCR3 |
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-2004084843-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-10-07 | — | — | WO | disclosed |