Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | ACACA | Q13085 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL4077716 | 0.79 | GRM4 (0.38) | CYP2D6CYP2C19KDM4CKMT2ASIGMAR1 | |
| SCHEMBL4346271 | 0.79 | CYP2C19 (0.36) | CYP2D6CYP2C19MAPTKMT2A | |
| SCHEMBL5489345 | 0.78 | SIGMAR1 (0.44) | CYP2D6CYP2C19KDM4CSIGMAR1 | |
| SCHEMBL5807159 | 0.76 | ALDH1A1 (0.43) | CYP2D6CYP2C19KDM4CSIGMAR1 | |
| SCHEMBL3634522 | 0.76 | KDM4E (0.45) | CYP2D6CYP2C19KDM4C | |
| SCHEMBL4325750 | 0.75 | MAOA (0.54) | KMT2A | |
| SCHEMBL2120450 | 0.75 | CYP2D6 (0.30) | CYP2D6CYP2C19 | |
| SCHEMBL22034780 | 0.72 | — | — | |
| SCHEMBL17030133 | 0.72 | ACACB (0.40) | KDM4CACACBACACAKMT2A | |
| SCHEMBL5270837 | 0.72 | — | — |
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-2009145719-A1 | ISOINDOLINE DERIVATIVES COMPRISING A CYANO GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS | ASTRAZENECA AB (SE) | 2009-12-03 | — | — | WO | disclosed |