Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 17/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 11/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | FPR1 | P21462 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | SCN5A | Q14524 | 11/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL13579101 | 0.89 | SCN9A (0.69) | SCN9AKCNH2SMN1; SMN2FPR1CYP1A2 | |
| SCHEMBL4326647 | 0.89 | SCN9A (0.64) | SCN9AKCNH2SMN1; SMN2FPR1CYP1A2 | |
| SCHEMBL4334938 | 0.87 | SCN9A (0.62) | SCN9AKCNH2SMN1; SMN2FPR1CYP1A2 | |
| SCHEMBL13579104 | 0.83 | SCN9A (0.70) | SCN9AKCNH2SMN1; SMN2FPR1CYP1A2 | |
| SCHEMBL4463844 | 0.81 | SCN9A (1.00) | SCN9AKCNH2SCN5A | |
| SCHEMBL13577839 | 0.80 | SCN9A (0.75) | SCN9AKCNH2SMN1; SMN2FPR1CYP1A2 | |
| SCHEMBL4325377 | 0.79 | SCN9A (0.73) | SCN9AKCNH2SMN1; SMN2FPR1CYP1A2 | |
| SCHEMBL4457611 | 0.76 | SCN9A (1.00) | SCN9AKCNH2SCN5A | |
| SCHEMBL4316853 | 0.76 | SCN9A (0.67) | SCN9AKCNH2SMN1; SMN2FPR1CYP1A2 | |
| SCHEMBL3896305 | 0.75 | SCN9A (0.71) | SCN9AKCNH2SCN5A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009145720-A1 | ISOINDOLINE DERIVATIVES COMPRISING ADDITIONAL HETEROCYCLIC GROUPS AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS | ASTRAZENECA AB (SE) | 2009-12-03 | — | — | WO | claimed |
| WO-2009145720-A1 | ISOINDOLINE DERIVATIVES COMPRISING ADDITIONAL HETEROCYCLIC GROUPS AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS | ASTRAZENECA AB (SE) | 2009-12-03 | — | — | WO | disclosed |
| WO-2009145720-A1 | ISOINDOLINE DERIVATIVES COMPRISING ADDITIONAL HETEROCYCLIC GROUPS AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS | ASTRAZENECA AB (SE) | 2009-12-03 | — | — | WO | disclosed |