Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL2233528 | 1.00 | SMN1; SMN2 (0.32) | SMN1; SMN2KDM4ECYP1A2CYP2C19POLB | |
| SCHEMBL18138174 | 0.72 | — | — | |
| SCHEMBL2780466 | 0.71 | SMN1; SMN2 (0.40) | SMN1; SMN2KDM4ECYP1A2CYP2C19POLB | |
| SCHEMBL27965634 | 0.71 | ALDH1A1 (0.34) | SMN1; SMN2CYP1A2CYP2C19POLB | |
| SCHEMBL2780464 | 0.71 | SMN1; SMN2 (0.40) | SMN1; SMN2KDM4ECYP1A2CYP2C19POLB | |
| SCHEMBL23301120 | 0.70 | ALDH1A1 (0.33) | SMN1; SMN2 | |
| SCHEMBL28383983 | 0.70 | SMN1; SMN2 (0.32) | SMN1; SMN2KDM4E | |
| SCHEMBL23301122 | 0.70 | ALDH1A1 (0.33) | SMN1; SMN2 | |
| SCHEMBL2525528 | 0.69 | — | — | |
| SCHEMBL2525531 | 0.69 | — | — |
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-2531501-A1 | APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2012-12-12 | — | — | EP | disclosed |
| WO-2011097079-A1 | APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-08-11 | — | — | WO | disclosed |