Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 2/20 | 0.43 |
| ▸ | BIRC3 | Q13489 | 2/20 | 0.43 |
| ▸ | BIRC2 | Q13490 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ACE | P12821 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL950189 | 0.84 | CASP1 (0.52) | XIAPBIRC3BIRC2HPGDSMN1; SMN2 | |
| SCHEMBL12914620 | 0.84 | CASP1 (0.52) | XIAPBIRC3BIRC2HPGDSMN1; SMN2 | |
| SCHEMBL950190 | 0.84 | CASP1 (0.52) | XIAPBIRC3BIRC2HPGDSMN1; SMN2 | |
| SCHEMBL12946457 | 0.84 | CASP1 (0.42) | XIAPBIRC3BIRC2HPGDSMN1; SMN2 | |
| SCHEMBL14370033 | 0.84 | CASP1 (0.52) | XIAPBIRC3BIRC2HPGDSMN1; SMN2 | |
| SCHEMBL14370030 | 0.84 | HPGD (0.47) | XIAPBIRC3BIRC2HPGDSMN1; SMN2 | |
| SCHEMBL12914622 | 0.84 | HPGD (0.47) | XIAPBIRC3BIRC2HPGDSMN1; SMN2 | |
| SCHEMBL12450522 | 0.83 | CASP1 (0.46) | XIAPBIRC3BIRC2HPGDSMN1; SMN2 | |
| SCHEMBL8763121 | 0.83 | HPGD (0.42) | XIAPBIRC3BIRC2HPGDSMN1; SMN2 | |
| SCHEMBL13201994 | 0.78 | CTSK (0.43) | XIAPBIRC3BIRC2ALDH1A1L3MBTL1 |
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 |