Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.34 |
| ▸ | FPR1 | P21462 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.33 |
| ▸ | OXTR | P30559 | 4/20 | 0.33 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4321206 | 0.76 | SCN9A (0.41) | SCN9AOXTRAVPR1AKCNH2SCN5A | |
| SCHEMBL4334944 | 0.74 | SCN9A (0.43) | SCN9AKCNH2SCN5A | |
| SCHEMBL4329044 | 0.73 | NPSR1 (0.40) | SMN1; SMN2SCN9AFPR1CYP1A2CYP3A4 | |
| SCHEMBL13579023 | 0.66 | SCN9A (0.67) | SMN1; SMN2SCN9AFPR1CYP1A2CYP3A4 | |
| SCHEMBL4326647 | 0.65 | SCN9A (0.64) | SMN1; SMN2SCN9AFPR1CYP1A2CYP3A4 | |
| SCHEMBL4239973 | 0.62 | TSHR (0.45) | SMN1; SMN2SCN9AFPR1CYP1A2CYP3A4 | |
| SCHEMBL4332779 | 0.61 | SCN9A (0.58) | SCN9AKCNH2SCN5A | |
| SCHEMBL12526943 | 0.59 | ACACB (0.38) | SCN9AOXTRCHRNA7ALDH1A1 | |
| SCHEMBL14312250 | 0.58 | HTR2B (0.44) | TSHRHTR2AHTR2CHTR2BALDH1A1 | |
| SCHEMBL14312249 | 0.58 | HTR2B (0.44) | TSHRHTR2AHTR2CHTR2BALDH1A1 |
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-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 |