Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.58 |
| ▸ | MAOB | P27338 | 2/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.55 |
| ▸ | HTR1A | P08908 | 2/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | HRH1 | P35367 | 1/20 | 0.54 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.52 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | METAP1 | P53582 | 2/20 | 0.49 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8203429 | 0.90 | MAOB (0.59) | MAOAMAOBSIGMAR1HTR1AHRH3 | |
| SCHEMBL6491492 | 0.89 | ADRA1D (0.54) | MAOAMAOBSIGMAR1HTR1AHRH3 | |
| SCHEMBL7297935 | 0.85 | ITGB3 (0.49) | MAOAMAOBSIGMAR1HTR1AHRH3 | |
| SCHEMBL7289032 | 0.85 | ITGB3 (0.49) | MAOAMAOBSIGMAR1HTR1AHRH3 | |
| SCHEMBL8200894 | 0.84 | ITGB3 (0.58) | MAOAMAOBHRH3CYP2D6ITGB3 | |
| SCHEMBL29092251 | 0.81 | MAOB (0.58) | MAOAMAOBHRH3CYP2D6ITGB3 | |
| Hydrochloric Acid SCHEMBL4623367 | 0.81 | CYP24A1 (0.57) | SIGMAR1METAP1CYP24A1 | |
| SCHEMBL7298191 | 0.81 | ITGB3 (0.47) | MAOAMAOBSIGMAR1HTR1AHRH3 | |
| SCHEMBL7298201 | 0.81 | ITGB3 (0.47) | MAOAMAOBSIGMAR1HTR1AHRH3 | |
| SCHEMBL5904289 | 0.81 | CYP24A1 (0.59) | SIGMAR1METAP1CYP24A1 |
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 |