Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | SCN9A | Q15858 | 12/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.66 |
| ▸ | SCN5A | Q14524 | 7/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | FPR1 | P21462 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.50 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.50 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4330045 | 0.92 | SCN9A (0.78) | TDP1SCN9AKCNH2SCN5AALDH1A1 | |
| SCHEMBL4337162 | 0.88 | SCN9A (0.85) | TDP1SCN9AKCNH2SCN5AKCNQ2 | |
| SCHEMBL13579075 | 0.88 | TDP1 (0.72) | TDP1SCN9AKCNH2SCN5AALDH1A1 | |
| SCHEMBL4325568 | 0.80 | SCN9A (1.00) | SCN9AKCNH2SCN5AKCNQ2KCNA5 | |
| SCHEMBL3898084 | 0.79 | SCN9A (1.00) | SCN9AKCNH2SCN5AKCNQ2KCNA5 | |
| SCHEMBL3890377 | 0.74 | SCN5A (0.60) | TDP1SCN9AKCNH2SCN5AALDH1A1 | |
| SCHEMBL3751057 | 0.74 | SCN9A (0.66) | TDP1SCN9AKCNH2SCN5AALDH1A1 | |
| SCHEMBL4457611 | 0.74 | SCN9A (1.00) | SCN9AKCNH2SCN5AKCNQ2KCNA5 | |
| SCHEMBL3750777 | 0.74 | TDP1 (0.69) | TDP1SCN9AKCNH2SCN5AALDH1A1 | |
| SCHEMBL3890079 | 0.73 | SCN9A (0.57) | TDP1SCN9AKCNH2SCN5AALDH1A1 |
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 |