Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KAT2B | Q92831 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.41 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | PREP | P48147 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13547350 | 0.88 | SMN1; SMN2 (0.47) | SMN1; SMN2CTSLCTSBCTSKCASP3 | |
| SCHEMBL13875779 | 0.81 | HDAC1 (0.47) | SMN1; SMN2ALDH1A1LMNABCHEACHE | |
| SCHEMBL949589 | 0.80 | CTSK (0.43) | SMN1; SMN2CTSLCTSBCTSKALDH1A1 | |
| SCHEMBL949590 | 0.80 | CTSK (0.43) | SMN1; SMN2CTSLCTSBCTSKALDH1A1 | |
| SCHEMBL12450523 | 0.76 | CASP1 (0.47) | SMN1; SMN2CTSLCTSBCTSKCASP3 | |
| SCHEMBL14610301 | 0.75 | CASP3 (0.55) | CTSLCTSBCTSKCASP3ALDH1A1 | |
| SCHEMBL13637760 | 0.75 | CASP1 (0.55) | CTSLCTSBCASP3 | |
| SCHEMBL8641646 | 0.74 | CTSL (0.46) | CTSLCTSBCTSKCASP3ALDH1A1 | |
| SCHEMBL8641654 | 0.74 | CTSL (0.46) | CTSLCTSBCTSKCASP3ALDH1A1 | |
| SCHEMBL3616171 | 0.74 | HDAC1 (0.50) | SMN1; SMN2LMNA |
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 |