Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 | |
|---|---|---|---|---|
| SCHEMBL4753739 | 1.00 | ESR1 (0.32) | ESR1CYP3A4NPC1POLBMAPT | |
| SCHEMBL4753772 | 0.80 | SMN1; SMN2 (0.38) | ESR1POLBPTGDR2 | |
| SCHEMBL4753774 | 0.80 | SMN1; SMN2 (0.38) | ESR1POLBPTGDR2 | |
| SCHEMBL4755628 | 0.76 | NPSR1 (0.38) | POLBMAPTALDH1A1GAAPTGDR2 | |
| SCHEMBL4755633 | 0.76 | NPSR1 (0.38) | POLBMAPTALDH1A1GAAPTGDR2 | |
| SCHEMBL4755724 | 0.67 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL4755728 | 0.67 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL29988261 | 0.65 | SMN1; SMN2 (0.38) | ESR1POLBMAPTALDH1A1GAA | |
| SCHEMBL21877583 | 0.65 | SMN1; SMN2 (0.43) | POLBMAPTALDH1A1GAA | |
| SCHEMBL2488849 | 0.65 | SMN1; SMN2 (0.43) | POLBMAPTALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008156607-A1 | SUBSTITUTED PYRIMIDINONES | NEUROGEN CORPORATION (US) | 2008-12-24 | — | — | WO | disclosed |
| WO-2008156607-A1 | SUBSTITUTED PYRIMIDINONES | NEUROGEN CORPORATION (US) | 2008-12-24 | — | — | WO | disclosed |