Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 9/20 | 0.33 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1409128 | 1.00 | CASP1 (0.33) | CASP1KLK5USP2ALDH1A1SMN1; SMN2 | |
| SCHEMBL646160 | 0.90 | CASP1 (0.39) | CASP1MAPT | |
| SCHEMBL5831798 | 0.75 | KLK5 (0.50) | CASP1KLK5ALDH1A1 | |
| SCHEMBL10201588 | 0.72 | POLB (0.44) | ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL1410128 | 0.72 | ADRB2 (0.44) | CASP1KLK5ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL1410130 | 0.72 | ADRB2 (0.44) | CASP1KLK5ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL311041 | 0.72 | KLK5 (0.36) | CASP1KLK5USP2ALDH1A1SMN1; SMN2 | |
| SCHEMBL10201581 | 0.72 | ADRB2 (0.48) | CASP1ALDH1A1 | |
| SCHEMBL7286618 | 0.72 | CASP1 (0.48) | CASP1KLK5USP2ALDH1A1 | |
| SCHEMBL10201585 | 0.72 | ADRB2 (0.46) | CASP1KLK5ALDH1A1SMN1; SMN2MAPT |
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 |