Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 5/20 | 0.47 |
| ▸ | CASP3 | P42574 | 5/20 | 0.47 |
| ▸ | CASP7 | P55210 | 5/20 | 0.47 |
| ▸ | CASP6 | P55212 | 5/20 | 0.47 |
| ▸ | CASP8 | Q14790 | 5/20 | 0.47 |
| ▸ | PSMB5 | P28074 | 8/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | PSMB1 | P20618 | 3/20 | 0.43 |
| ▸ | PSMB2 | P49721 | 2/20 | 0.43 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.43 |
| ▸ | PSMD11 | O00231 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8763141 | 0.86 | ALDH1A1 (0.45) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL8721796 | 0.85 | KLK5 (0.51) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL948900 | 0.85 | KLK5 (0.51) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL13197116 | 0.85 | KLK5 (0.51) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL13776512 | 0.82 | CASP3 (0.44) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL12914558 | 0.81 | CASP3 (0.48) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL7275232 | 0.79 | KLK5 (0.47) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL948807 | 0.79 | CASP3 (0.42) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL8289708 | 0.78 | CTSL (0.52) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL12946544 | 0.77 | PSMB5 (0.43) | PSMB5CTSSCTSKALDH1A1L3MBTL1 |
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-0784628-A1 | INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME | Vertex Pharmaceuticals Incorporated (US) | 1997-07-23 | — | — | EP | disclosed |
| WO-1995035308-A1 | INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1995-12-28 | — | — | WO | disclosed |