Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | VNN1 | O95497 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13819676 | 1.00 | SMN1; SMN2 (0.39) | SMN1; SMN2ALDH1A1CYP2C19MAPK1OPRM1 | |
| SCHEMBL23512797 | 0.89 | CYP2D6 (0.40) | SMN1; SMN2ALDH1A1CYP2C19CYP1A2TDP1 | |
| SCHEMBL13804292 | 0.88 | CYP1A2 (0.43) | SMN1; SMN2ALDH1A1CYP2C19MAPK1CYP1A2 | |
| SCHEMBL26620413 | 0.83 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1CYP2C19CYP1A2TDP1 | |
| SCHEMBL25708743 | 0.79 | CYP4F2 (0.40) | SMN1; SMN2ALDH1A1CYP2C19MAPK1OPRM1 | |
| SCHEMBL26053286 | 0.79 | CYP4F2 (0.40) | SMN1; SMN2ALDH1A1CYP2C19MAPK1OPRM1 | |
| SCHEMBL17177248 | 0.79 | ALDH1A1 (0.42) | SMN1; SMN2ALDH1A1CYP2C19CYP2C9VNN1 | |
| SCHEMBL12284806 | 0.78 | CYP2D6 (0.39) | SMN1; SMN2ALDH1A1CYP2C19MAPK1OPRM1 | |
| SCHEMBL21958804 | 0.78 | KMT2A (0.40) | ALDH1A1VNN1KMT2A | |
| SCHEMBL24497417 | 0.78 | KMT2A (0.40) | ALDH1A1VNN1KMT2A |
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-1414797-B9 | HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE | BOEHRINGER INGELHEIM CA LTD (CA) | 2009-04-15 | — | — | EP | disclosed |
| EP-1414797-B1 | HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE | BOEHRINGER INGELHEIM CA LTD (CA) | 2008-01-02 | — | — | EP | disclosed |