Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CTSS | P25774 | 10/20 | 0.47 |
| ▸ | CTSB | P07858 | 5/20 | 0.47 |
| ▸ | CTSL | P07711 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CTSK | P43235 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HBB | P68871 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6742147 | 0.89 | CTSS (0.51) | CTSSCTSBCTSLCTSK | |
| SCHEMBL6744248 | 0.83 | ALDH1A1 (0.54) | TSHRCTSSCTSBCTSLCYP2D6 | |
| SCHEMBL5523222 | 0.82 | NPC1 (0.53) | CYP2C19CTSSCTSBCTSLMAPT | |
| SCHEMBL7659544 | 0.82 | GAA (0.54) | CYP2C19GAATSHRMAPTL3MBTL1 | |
| SCHEMBL6742702 | 0.81 | CTSS (0.43) | CTSSCTSBCTSLCTSKL3MBTL1 | |
| SCHEMBL6742158 | 0.78 | CTSS (0.68) | CTSSCTSBCTSLCTSK | |
| SCHEMBL6061195 | 0.78 | CTSS (0.68) | CTSSCTSBCTSLCTSK | |
| SCHEMBL6740685 | 0.77 | CTSS (0.55) | GAACTSSCTSBCTSLL3MBTL1 | |
| SCHEMBL6740689 | 0.77 | CTSS (0.55) | GAACTSSCTSBCTSLL3MBTL1 | |
| SCHEMBL6738423 | 0.76 | CTSS (0.77) | CTSSCTSBCTSLCTSK |
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 |
|---|---|---|---|---|---|---|---|
| US-6492362-B1 | Compounds and compositions as cathepsin S inhibitors | AXYS PHARMACEUTICALS, INC. | 2002-12-10 | — | — | US | disclosed |