Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | PSMB1 | P20618 | 2/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | UBE2N | P61088 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL311929 | 0.86 | NLRP3 (0.54) | CASP1KDM4EPSMB1PSMB5MEN1 | |
| SCHEMBL10044273 | 0.82 | NTSR1 (0.45) | CASP1KDM4EPSMB1PSMB5MEN1 | |
| SCHEMBL312093 | 0.82 | NTSR1 (0.45) | CASP1KDM4EPSMB1PSMB5MEN1 | |
| SCHEMBL79128 | 0.79 | CASP3 (0.44) | CASP3CASP1 | |
| SCHEMBL79127 | 0.79 | CASP3 (0.44) | CASP3CASP1 | |
| SCHEMBL79129 | 0.79 | CASP3 (0.44) | CASP3CASP1 | |
| SCHEMBL31306252 | 0.78 | ITGB3 (0.51) | KDM4EMEN1KMT2ANLRP3CYP3A4 | |
| SCHEMBL311998 | 0.74 | CASP1 (0.48) | CASP3CASP1ELANE | |
| SCHEMBL312333 | 0.74 | PSMB5 (0.50) | CASP3CASP1KDM4EPSMB1PSMB5 | |
| SCHEMBL311997 | 0.73 | HDAC6 (0.47) | CASP3CASP1PSMB1PSMB5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004002961-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-01-08 | — | — | WO | disclosed |