Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5042209 | 0.85 | HSD17B10 (0.46) | SMN1; SMN2HTTGAAGPR84HSD17B10 | |
| SCHEMBL5049081 | 0.84 | HSD17B10 (0.47) | SMN1; SMN2HTTGAAHSD17B10THRB | |
| SCHEMBL5045769 | 0.84 | SMN1; SMN2 (0.43) | SMN1; SMN2HTTGAAGPR84HSD17B10 | |
| SCHEMBL5049973 | 0.83 | SMN1; SMN2 (0.43) | SMN1; SMN2HTTGAAGPR84HSD17B10 | |
| SCHEMBL5047348 | 0.83 | SMN1; SMN2 (0.43) | SMN1; SMN2HTTGAAGPR84HSD17B10 | |
| SCHEMBL5049995 | 0.83 | SMN1; SMN2 (0.43) | SMN1; SMN2HTTGAAGPR84HSD17B10 | |
| SCHEMBL5046236 | 0.82 | HSD17B10 (0.46) | SMN1; SMN2HTTGAAGPR84HSD17B10 | |
| SCHEMBL5042347 | 0.81 | HSD17B10 (0.48) | SMN1; SMN2HTTHSD17B10THRBCYP1A2 | |
| SCHEMBL5047449 | 0.79 | SPHK1 (0.40) | SMN1; SMN2HTTGAAGPR84HSD17B10 | |
| SCHEMBL5050013 | 0.78 | SMN1; SMN2 (0.39) | SMN1; SMN2HTTGAAGPR84MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-7351700-B2 | Aminomethylpyrimidines as allosteric enhancers of the GABAB receptors | HOFFMANN-LA ROCHE INC. (US) | 2008-04-01 | — | — | US | claimed |
| 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 |