Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAF1 | P04049 | 17/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 7/20 | 0.44 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.42 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.42 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10264742 | 1.00 | RAF1 (0.46) | RAF1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL10268632 | 0.86 | RAF1 (0.51) | RAF1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL325018 | 0.84 | CYP2E1 (0.41) | CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL325017 | 0.84 | CYP2E1 (0.41) | CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL15124048 | 0.84 | CYP2E1 (0.41) | CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL10265817 | 0.83 | RAF1 (0.48) | RAF1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL10265434 | 0.82 | HPGD (0.52) | CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL10265388 | 0.81 | RAF1 (0.48) | RAF1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL10207373 | 0.79 | RAF1 (0.50) | RAF1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL10265406 | 0.79 | RAF1 (0.47) | RAF1MAPK14MAPK13MAPK12MAPK11 |
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-2012006055-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-12 | — | — | WO | disclosed |