Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 4/20 | 0.41 |
| ▸ | JAK3 | P52333 | 4/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5047300 | 0.87 | ALDH1A1 (0.48) | ALDH1A1HTTNPSR1LMNAL3MBTL1 | |
| SCHEMBL5049040 | 0.83 | ALDH1A1 (0.63) | ALDH1A1HTTNPSR1LMNAL3MBTL1 | |
| SCHEMBL5045760 | 0.83 | ALDH1A1 (0.45) | ALDH1A1HTTNPSR1LMNAL3MBTL1 | |
| SCHEMBL5042312 | 0.77 | HSD17B10 (0.46) | ALDH1A1HTTNPSR1LMNAKDM4E | |
| SCHEMBL5776873 | 0.74 | HRH3 (0.61) | ALDH1A1LMNAMAPTJAK2JAK3 | |
| SCHEMBL5042347 | 0.73 | HSD17B10 (0.48) | ALDH1A1HTTNPSR1HSD17B10CYP1A2 | |
| SCHEMBL5045968 | 0.72 | POLB (0.46) | ALDH1A1HTTKDM4EHSD17B10CYP1A2 | |
| SCHEMBL5049081 | 0.72 | HSD17B10 (0.47) | ALDH1A1HTTGAAHSD17B10CYP1A2 | |
| SCHEMBL5042209 | 0.71 | HSD17B10 (0.46) | ALDH1A1HTTGAAHSD17B10CYP1A2 | |
| SCHEMBL5050422 | 0.69 | HTT (0.41) | ALDH1A1HTTLMNAHSD17B10CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1725239-A1 | 4-(SULFANYL-PYRIMIDIN-4-YLMETHYL)-MORPHOLINE DERIVATIVES AND RELATED COMPOUNDS AS GABA RECEPTOR LIGANDS FOR THE TREATMENT OF ANXIETY, DEPRESSION AND EPILEPSY | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005094828-A1 | 4- (SULFANYL-PYRIMIDIN-4-YLMETHYL) -MORPHOLINE DERIVATIVES AND RELATED COMPOUNDS AS GABA RECEPTOR LIGANDS FOR THE TREATMENT OF ANXIETY, DEPRESSION AND EPILEPSY | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | disclosed |