Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29953215 | 1.00 | PNMT (0.41) | PNMTACP3AOC3PDE1BOPRM1 | |
| SCHEMBL254476 | 0.78 | PGR (0.47) | PNMTACP3AOC3OPRM1OPRD1 | |
| SCHEMBL2601111 | 0.78 | PNMT (0.47) | PNMTACP3AOC3PDE1BOPRM1 | |
| SCHEMBL29428797 | 0.78 | PGR (0.47) | PNMTACP3AOC3OPRM1OPRD1 | |
| SCHEMBL8094299 | 0.76 | PNMT (0.45) | PNMTACP3AOC3PDE1BOPRM1 | |
| Ammonia Solution, Strong SCHEMBL16197665 | 0.76 | PGR (0.46) | PNMTACP3AOC3OPRM1OPRD1 | |
| SCHEMBL30549338 | 0.76 | PNMT (0.45) | PNMTACP3AOC3PDE1BOPRM1 | |
| SCHEMBL343771 | 0.74 | MEN1 (0.47) | PNMTACP3AOC3ADRB2ADRB1 | |
| SCHEMBL15943135 | 0.74 | MEN1 (0.47) | PNMTACP3AOC3ADRB2ADRB1 | |
| SCHEMBL3397815 | 0.74 | PNMT (0.44) | PNMTACP3AOC3PDE1BOPRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |