Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 4/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12630661 | 0.81 | APLNR (0.41) | MAOB | |
| SCHEMBL14143900 | 0.81 | CHRM5 (0.43) | GPR3SCN5ACHRM5FFAR4CYP3A4 | |
| SCHEMBL13568401 | 0.79 | GPR3 (0.41) | GPR3SCN5ACHRM5FFAR4CYP3A4 | |
| SCHEMBL20817904 | 0.79 | GPR3 (0.41) | GPR3SCN5ACHRM5FFAR4CYP3A4 | |
| SCHEMBL966621 | 0.79 | GPR3 (0.41) | GPR3SCN5ACHRM5FFAR4CYP3A4 | |
| SCHEMBL13137672 | 0.79 | GPR3 (0.41) | GPR3SCN5ACHRM5FFAR4CYP3A4 | |
| SCHEMBL12135071 | 0.79 | FFAR4 (0.42) | GPR3SCN5ACHRM5FFAR4CYP3A4 | |
| Hydrochloric Acid SCHEMBL2203322 | 0.78 | GPR3 (0.41) | GPR3SCN5ACHRM5FFAR4CYP3A4 | |
| SCHEMBL16961512 | 0.78 | GPR3 (0.41) | GPR3SCN5ACHRM5FFAR4CYP3A4 | |
| SCHEMBL13579085 | 0.77 | HTR2A (0.46) | GPR3SCN5ACHRM5FFAR4KCNH2 |
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-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 |
| WO-2009145721-A1 | ISOINDOLINE DERIVATIVES COMPRISING PHENYL GROUPS AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS | ASTRAZENECA AB (SE) | 2009-12-03 | — | — | WO | disclosed |
| WO-2009145718-A1 | ISOINDOLINE DERIVATIVES COMPRISING AN ADDITIONAL HETEROCYCLIC GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS | ASTRAZENECA AB (SE) | 2009-12-03 | — | — | WO | disclosed |