Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5045840 | 0.91 | SMN1; SMN2 (0.35) | GPR84CHRM1CHRM2CHRM3 | |
| SCHEMBL5046511 | 0.87 | SMN1; SMN2 (0.37) | GPR84CHRM1 | |
| SCHEMBL6022699 | 0.79 | ADORA3 (0.31) | — | |
| SCHEMBL5046187 | 0.74 | GPR84 (0.46) | GPR84 | |
| SCHEMBL5049082 | 0.71 | SMN1; SMN2 (0.38) | GPR84 | |
| SCHEMBL5049080 | 0.70 | GPR84 (0.49) | GPR84 | |
| SCHEMBL5049134 | 0.69 | SMN1; SMN2 (0.39) | GPR84 | |
| SCHEMBL5692459 | 0.68 | TLR8 (0.41) | — | |
| SCHEMBL5049122 | 0.67 | GPR84 (0.44) | GPR84 | |
| SCHEMBL5049907 | 0.67 | SMN1; SMN2 (0.38) | GPR84 |
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 |