Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | SMO | Q99835 | 1/20 | 0.40 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2829721 | 0.91 | GAA (0.52) | GAAKDM4EHRH3SMOZAP70 | |
| SCHEMBL2827529 | 0.89 | KDM4E (0.50) | GAAKDM4EHRH3SMOALDH1A1 | |
| SCHEMBL2824582 | 0.88 | GAA (0.55) | GAAKDM4EALDH1A1DRD2DRD4 | |
| SCHEMBL2829674 | 0.88 | KDM4E (0.51) | GAAKDM4EHRH3SMOZAP70 | |
| SCHEMBL2828748 | 0.86 | ALDH1A1 (0.53) | GAAKDM4ESMOALDH1A1SMN1; SMN2 | |
| SCHEMBL2828676 | 0.84 | KDM4E (0.53) | GAAKDM4EALDH1A1SMN1; SMN2DRD2 | |
| SCHEMBL2824610 | 0.84 | GAA (0.53) | GAAKDM4EALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL2831874 | 0.83 | KDM4E (0.41) | GAAKDM4EHRH3PARP1PARP2 | |
| SCHEMBL2829673 | 0.83 | GAA (0.47) | GAAKDM4EHRH3SMOALDH1A1 | |
| SCHEMBL2825744 | 0.82 | KDM2B (0.48) | GAAKDM4EALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1824829-B1 | 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-05-05 | — | — | EP | claimed |
| EP-1824829-A1 | 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006058649-A1 | 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-06-08 | — | — | WO | disclosed |