Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 13/20 | 0.38 |
| ▸ | CTSK | P43235 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6276996 | 1.00 | SMN1; SMN2 (0.47) | SMN1; SMN2CASP1CTSKALDH1A1CYP1A2 | |
| SCHEMBL1261146 | 0.85 | CTSK (0.50) | SMN1; SMN2CTSKALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL12648034 | 0.85 | CTSK (0.50) | SMN1; SMN2CTSKALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL13829039 | 0.85 | CTSK (0.50) | SMN1; SMN2CTSKALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL6808253 | 0.83 | CASP1 (0.52) | SMN1; SMN2CASP1 | |
| SCHEMBL3263207 | 0.81 | SMN1; SMN2 (0.48) | SMN1; SMN2CASP1ALDH1A1 | |
| SCHEMBL15083313 | 0.80 | SMN1; SMN2 (0.49) | SMN1; SMN2CTSKALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL16289367 | 0.80 | SMN1; SMN2 (0.49) | SMN1; SMN2CTSKALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL13652724 | 0.79 | SMN1; SMN2 (0.42) | SMN1; SMN2CTSKALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL1583887 | 0.77 | CTSK (0.49) | SMN1; SMN2CTSKCYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0876395-B1 | INHIBITORS OF INTERLEUKIN-1BETA CONVERTING ENZYME | VERTEX PHARMA (US) | 2005-11-16 | — | — | EP | disclosed |