Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 20/20 | 0.77 |
| ▸ | PDE4C | Q08493 | 19/20 | 0.77 |
| ▸ | PDE4A | P27815 | 13/20 | 0.77 |
| ▸ | PDE4D | Q08499 | 13/20 | 0.77 |
| ▸ | HTR2B | P41595 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL22029271 | 0.98 | PDE4B (0.79) | PDE4BPDE4CPDE4APDE4DHTR2B | |
| SCHEMBL17848801 | 0.98 | PDE4B (0.79) | PDE4BPDE4CPDE4APDE4DHTR2B | |
| Propanol SCHEMBL17848792 | 0.97 | PDE4B (0.74) | PDE4BPDE4CPDE4APDE4DHTR2B | |
| Acetone SCHEMBL17848799 | 0.97 | PDE4B (0.76) | PDE4BPDE4CPDE4APDE4DHTR2B | |
| SCHEMBL17848804 | 0.96 | PDE4B (0.75) | PDE4BPDE4CPDE4APDE4DHTR2B | |
| Isobutyraldehyde SCHEMBL17848805 | 0.94 | PDE4B (0.72) | PDE4BPDE4CPDE4APDE4DHTR2B | |
| SCHEMBL30626414 | 0.92 | PDE4B (0.77) | PDE4BPDE4CPDE4APDE4DHTR2B | |
| SCHEMBL28672780 | 0.92 | PDE4B (0.77) | PDE4BPDE4CPDE4APDE4DHTR2B | |
| SCHEMBL7401395 | 0.90 | PDE4B (0.76) | PDE4BPDE4CPDE4APDE4DHTR2B | |
| SCHEMBL537193 | 0.89 | PDE4B (0.83) | PDE4BPDE4CPDE4APDE4DHTR2B |
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-2016097156-A1 | NOVEL SOLVATES OF N-[2-[(1S)-1-(3-ETHOXY-4-METHOXYPHENYL)-2-(METHYLSULFONYL)ETHYL]-2,3-DIHYDRO-1,3-DIOXO-1H-ISOINDOL-4-YL]ACETAMIDE | LEK PHARMACEUTICALS D.D. (SI) | 2016-06-23 | — | — | WO | disclosed |