Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | NAAA | Q02083 | 4/20 | 0.42 |
| ▸ | CASP1 | P29466 | 4/20 | 0.42 |
| ▸ | CASP3 | P42574 | 4/20 | 0.42 |
| ▸ | CASP7 | P55210 | 4/20 | 0.42 |
| ▸ | CASP6 | P55212 | 4/20 | 0.42 |
| ▸ | CASP8 | Q14790 | 4/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8763134 | 0.86 | CASP1 (0.47) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL948901 | 0.85 | KLK5 (0.43) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL948808 | 0.78 | CASP3 (0.38) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL13776512 | 0.77 | CASP3 (0.44) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL949530 | 0.76 | CASP3 (0.38) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL950442 | 0.76 | CASP3 (0.36) | ALDH1A1CASP1CASP3CASP7CASP6 | |
| SCHEMBL12914558 | 0.76 | CASP3 (0.48) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL948261 | 0.75 | CASP3 (0.35) | ALDH1A1CASP1CASP3CASP7CASP6 | |
| SCHEMBL949112 | 0.75 | CASP1 (0.35) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL949260 | 0.75 | NAAA (0.34) | NAAACASP1CASP3CASP7CASP6 |
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 |