Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 3/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.44 |
| ▸ | CDK2 | P24941 | 2/20 | 0.44 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21761667 | 0.85 | HPGD (0.49) | KDM4EALDH1A1HPGDGAAHSD17B10 | |
| SCHEMBL21335854 | 0.81 | AHR (0.52) | AHRMAOAKDM4EALDH1A1HPGD | |
| SCHEMBL21761651 | 0.81 | SMN1; SMN2 (0.37) | AHRMAOAALDH1A1HPGDGAA | |
| SCHEMBL21761627 | 0.80 | CA1 (0.39) | AHRMAOAKDM4EALDH1A1HPGD | |
| SCHEMBL24182074 | 0.79 | AHR (0.50) | AHRMAOAKDM4EALDH1A1HPGD | |
| SCHEMBL10913894 | 0.79 | AHR (0.47) | AHRMAOAKDM4EALDH1A1HPGD | |
| SCHEMBL7015222 | 0.78 | AHR (0.54) | AHRMAOAKDM4EALDH1A1HPGD | |
| SCHEMBL21761700 | 0.77 | CCR9 (0.38) | MAOAKDM4EALDH1A1HPGDGAA | |
| SCHEMBL10909799 | 0.77 | POLB (0.46) | AHRMAOAKDM4EALDH1A1HPGD | |
| SCHEMBL18826569 | 0.77 | HPGD (0.71) | AHRMAOAKDM4EALDH1A1HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2443089-B1 | DEUTERATED ISOINDOLINE-1,3-DIONE DERIVATIVES AS PDE4 AND TNF-ALPHA INHIBITORS | CONCERT PHARMACEUTICALS INC (US) | 2014-03-05 | — | — | EP | disclosed |
| EP-2690092-A1 | Deuterated isoindoline-1,3-dione derivatives as PDE4 and TNF-alpha inhibitors | Concert Pharmaceuticals Inc. (US) | 2014-01-29 | — | — | EP | disclosed |
| WO-2012096884-A1 | PHENETHYLSULFONE ISOINDOLINE DERIVATIVES AS INHIBITORS OF PDE 4 AND/OR CYTOKINES | CELGENE CORPORATION (US) | 2012-07-19 | — | — | WO | disclosed |
| WO-2010147922-A1 | DEUTERATED I SOINDOLINE- I, 3-DIONE DERIVATIVES AS PDE4 AND TNF-ALPHA INHIBITORS | CONCERT PHARMACEUTICALS, INC. (US) | 2010-12-23 | — | — | WO | disclosed |