Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.57 |
| ▸ | GRIN1 | Q05586 | 7/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | NPY1R | P25929 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8199358 | 1.00 | BACE1 (0.57) | BACE1GRIN1GRIN2BHRH3LTA4H | |
| SCHEMBL8199357 | 1.00 | BACE1 (0.57) | BACE1GRIN1GRIN2BHRH3LTA4H | |
| SCHEMBL8198773 | 0.89 | GRIN1 (0.58) | BACE1GRIN1GRIN2BHRH3 | |
| SCHEMBL8198774 | 0.89 | GRIN1 (0.58) | BACE1GRIN1GRIN2BHRH3 | |
| SCHEMBL8198776 | 0.89 | GRIN1 (0.58) | BACE1GRIN1GRIN2BHRH3 | |
| SCHEMBL8200329 | 0.78 | GRIN1 (0.51) | GRIN1GRIN2BHRH3 | |
| SCHEMBL8200332 | 0.78 | GRIN1 (0.51) | GRIN1GRIN2BHRH3 | |
| SCHEMBL8200326 | 0.78 | GRIN1 (0.51) | GRIN1GRIN2BHRH3 | |
| SCHEMBL8533128 | 0.77 | DRD2 (0.49) | HRH3 | |
| SCHEMBL8202807 | 0.77 | ADRA1D (0.46) | BACE1GRIN1GRIN2B |
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 |
|---|---|---|---|---|---|---|---|
| US-6048877-A | Tetralone derivatives as antiarrhythmic agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-04-11 | — | — | US | claimed |
| US-6048877-A | Tetralone derivatives as antiarrhythmic agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-04-11 | — | — | US | disclosed |