Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 5/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1409667 | 1.00 | CYP2D6 (0.43) | CYP2D6SMN1; SMN2CASP1CA1CA2 | |
| SCHEMBL3471522 | 0.83 | SMN1; SMN2 (0.44) | CYP2D6SMN1; SMN2CASP1HDAC3HDAC1 | |
| SCHEMBL5831798 | 0.82 | KLK5 (0.50) | CASP1KLK5ALDH1A1 | |
| SCHEMBL5832112 | 0.81 | SMN1; SMN2 (0.46) | CYP2D6SMN1; SMN2CASP1CA1CA2 | |
| SCHEMBL8358714 | 0.81 | SMN1; SMN2 (0.46) | CYP2D6SMN1; SMN2CASP1CA1CA2 | |
| SCHEMBL645196 | 0.81 | CASP1 (0.45) | CASP1 | |
| SCHEMBL7286618 | 0.79 | CASP1 (0.48) | CASP1KLK5ALDH1A1CTSK | |
| SCHEMBL1409869 | 0.78 | SMN1; SMN2 (0.47) | CYP2D6SMN1; SMN2CASP1 | |
| SCHEMBL8764106 | 0.78 | SMN1; SMN2 (0.47) | CYP2D6SMN1; SMN2CASP1 | |
| SCHEMBL7275372 | 0.78 | CASP1 (0.48) | CASP1KLK5ALDH1A1CTSK |
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 |