Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 3/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1409918 | 1.00 | SMN1; SMN2 (0.36) | SMN1; SMN2CASP1HCRTR2CYP2D6 | |
| SCHEMBL644669 | 0.86 | CASP1 (0.40) | CASP1 | |
| SCHEMBL13725768 | 0.75 | HCRTR2 (0.40) | HCRTR2CYP2D6 | |
| SCHEMBL28588817 | 0.75 | HCRTR2 (0.40) | HCRTR2CYP2D6 | |
| SCHEMBL9740480 | 0.75 | CASP1 (0.31) | CASP1 | |
| SCHEMBL28580336 | 0.74 | HCRTR2 (0.39) | HCRTR2CYP2D6 | |
| SCHEMBL28580334 | 0.74 | HCRTR2 (0.39) | HCRTR2CYP2D6 | |
| SCHEMBL10201598 | 0.72 | HCRTR2 (0.34) | HCRTR2CYP2D6 | |
| SCHEMBL1409902 | 0.71 | TMEM97 (0.37) | SMN1; SMN2HCRTR2 | |
| SCHEMBL8360706 | 0.70 | SMN1; SMN2 (0.49) | SMN1; SMN2CASP1CYP2D6 |
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-0869967-A2 | INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME | Vertex Pharmaceuticals Incorporated (US) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997022619-A2 | INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-06-26 | — | — | WO | disclosed |