Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 3/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.43 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8201028 | 0.88 | CYP26A1 (0.45) | GRIN1GRIN2BADRA1DADRA1AADRA1B | |
| SCHEMBL6491492 | 0.80 | ADRA1D (0.54) | GRIN1GRIN2BADRA1DADRA1AADRA1B | |
| SCHEMBL8198852 | 0.79 | ADRA1D (0.57) | GRIN1GRIN2BADRA1DADRA1AADRA1B | |
| SCHEMBL31748950 | 0.78 | MAOB (0.61) | MAOBMAOAITGB3ITGA2BHRH3 | |
| SCHEMBL7911568 | 0.77 | MAOB (0.52) | MAOBMAOAITGB3ITGA2BHRH3 | |
| SCHEMBL5665208 | 0.77 | MAOB (0.52) | MAOBMAOAITGB3ITGA2BSMN1; SMN2 | |
| SCHEMBL6494275 | 0.76 | SMN1; SMN2 (0.48) | GRIN1GRIN2BADRA1DADRA1AADRA1B | |
| SCHEMBL8200537 | 0.74 | ADRA1D (0.56) | GRIN1GRIN2BADRA1DADRA1AADRA1B | |
| SCHEMBL8200894 | 0.74 | ITGB3 (0.58) | MAOBMAOAITGB3ITGA2BHRH3 | |
| SCHEMBL8199711 | 0.73 | ADRA1D (0.53) | GRIN1GRIN2BADRA1DADRA1AADRA1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998036749-A1 | TETRALONE DERIVATIVES AS ANTIARRHYTHMIC AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-08-27 | — | — | WO | claimed |
| US-6048877-A | Tetralone derivatives as antiarrhythmic agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-04-11 | — | — | US | disclosed |
| WO-1998036749-A1 | TETRALONE DERIVATIVES AS ANTIARRHYTHMIC AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-08-27 | — | — | WO | disclosed |