Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 13/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.65 |
| ▸ | SCN5A | Q14524 | 8/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | FPR1 | P21462 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13579065 | 0.84 | SCN9A (0.54) | SCN9AKCNH2SCN5ASMN1; SMN2FPR1 | |
| SCHEMBL13579101 | 0.83 | SCN9A (0.69) | SCN9AKCNH2SCN5ASMN1; SMN2FPR1 | |
| SCHEMBL13577808 | 0.82 | SCN9A (0.80) | SCN9AKCNH2SCN5ASMN1; SMN2FPR1 | |
| SCHEMBL4321569 | 0.81 | SCN9A (0.79) | SCN9AKCNH2SCN5ASMN1; SMN2FPR1 | |
| SCHEMBL4325285 | 0.79 | SCN9A (1.00) | SCN9AKCNH2SCN5AKCNA5 | |
| SCHEMBL13579075 | 0.73 | TDP1 (0.72) | SCN9AKCNH2SCN5ASMN1; SMN2FPR1 | |
| SCHEMBL4318494 | 0.72 | SCN9A (0.57) | SCN9AKCNH2SCN5ASMN1; SMN2FPR1 | |
| SCHEMBL4457879 | 0.72 | SCN9A (0.68) | SCN9AKCNH2SCN5ASMN1; SMN2FPR1 | |
| SCHEMBL4334649 | 0.72 | SCN9A (0.64) | SCN9AKCNH2SCN5ATDP1KCNA5 | |
| SCHEMBL4334652 | 0.72 | SCN9A (0.54) | SCN9AKCNH2SCN5ATDP1KCNA5 |
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 |