Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 8/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7275372 | 0.99 | CASP1 (0.48) | CASP1FAAHMGLLKLK5CTSK | |
| SCHEMBL7286618 | 0.96 | CASP1 (0.48) | CASP1FAAHMGLLKLK5CTSK | |
| SCHEMBL5831798 | 0.86 | KLK5 (0.50) | CASP1KLK5 | |
| SCHEMBL7277471 | 0.81 | CASP1 (0.59) | CASP1USP2 | |
| SCHEMBL7277477 | 0.80 | CASP1 (0.60) | CASP1 | |
| SCHEMBL7286930 | 0.79 | CASP1 (0.52) | CASP1CTSK | |
| SCHEMBL7286909 | 0.77 | CASP1 (0.65) | CASP1 | |
| SCHEMBL7344489 | 0.77 | CYP2D6 (0.43) | CASP1KLK5CTSK | |
| SCHEMBL1409667 | 0.77 | CYP2D6 (0.43) | CASP1KLK5CTSK | |
| SCHEMBL5832716 | 0.75 | CASP1 (0.56) | CASP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0519748-B1 | Peptidyl derivatives as inhibitors of interleukin-1B converting enzyme | MERCK & CO INC (US) | 1998-09-02 | — | — | EP | disclosed |
| US-5434248-A | Peptidyl derivatives as inhibitors of interleukin-1β converting enzyme | MERCK & CO., INC. (US) | 1995-07-18 | — | — | US | disclosed |
| EP-0519748-A2 | Peptidyl derivatives as inhibitors of interleukin-1B converting enzyme | MERCK & CO. INC. (US) | 1992-12-23 | — | — | EP | disclosed |