Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.56 |
| ▸ | BACE1 | P56817 | 2/20 | 0.54 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 4/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | CYP24A1 | Q07973 | 3/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 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 | |
|---|---|---|---|---|
| SCHEMBL8198852 | 0.94 | ADRA1D (0.57) | ADRA1DADRA1AADRA1BBACE1CYP26A1 | |
| SCHEMBL8200296 | 0.93 | ADRA1D (0.50) | ADRA1DADRA1AADRA1BBACE1CYP26A1 | |
| SCHEMBL8192734 | 0.92 | ADRA1D (0.55) | ADRA1DADRA1AADRA1BBACE1CYP26A1 | |
| SCHEMBL8199290 | 0.92 | ADRA1D (0.55) | ADRA1DADRA1AADRA1BBACE1CYP26A1 | |
| SCHEMBL8199711 | 0.90 | ADRA1D (0.53) | ADRA1DADRA1AADRA1BBACE1ITGB3 | |
| SCHEMBL8224742 | 0.90 | ADRA1D (0.53) | ADRA1DADRA1AADRA1BBACE1CYP26A1 | |
| SCHEMBL8192823 | 0.89 | ADRA1D (0.52) | ADRA1DADRA1AADRA1BBACE1CYP26A1 | |
| SCHEMBL8199368 | 0.89 | CYP26A1 (0.49) | ADRA1DADRA1AADRA1BBACE1CYP26A1 | |
| SCHEMBL8199674 | 0.87 | MAOB (0.50) | ADRA1DADRA1AADRA1BITGB3ITGA2B | |
| SCHEMBL8192983 | 0.87 | ADRA1D (0.49) | ADRA1DADRA1AADRA1BBACE1CYP26A1 |
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 4 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 |
| 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 |