Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.58 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.58 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.55 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.55 |
| ▸ | CYP24A1 | Q07973 | 6/20 | 0.48 |
| ▸ | CYP26A1 | O43174 | 4/20 | 0.48 |
| ▸ | MAOB | P27338 | 3/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CYP27A1 | Q02318 | 3/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4622240 | 0.85 | ITGB3 (0.59) | ITGB3ITGA2BCYP24A1CYP26A1MAOB | |
| SCHEMBL8199675 | 0.85 | ITGB3 (0.56) | ITGB3ITGA2BGRIN1GRIN2BCYP24A1 | |
| SCHEMBL8200304 | 0.80 | ITGB3 (0.60) | ITGB3ITGA2BCYP24A1CYP26A1MAOB | |
| SCHEMBL8204211 | 0.80 | ITGB3 (0.57) | ITGB3ITGA2BCYP24A1CYP26A1MAOB | |
| SCHEMBL8200056 | 0.79 | ITGB3 (0.54) | ITGB3ITGA2BCYP24A1CYP26A1MAOB | |
| SCHEMBL8200931 | 0.79 | ITGB3 (0.58) | ITGB3ITGA2BCYP24A1CYP26A1MAOB | |
| SCHEMBL8200894 | 0.78 | ITGB3 (0.58) | ITGB3ITGA2BCYP24A1CYP26A1MAOB | |
| SCHEMBL8198782 | 0.78 | ITGB3 (0.55) | ITGB3ITGA2BCYP24A1CYP26A1MAOB | |
| SCHEMBL8198784 | 0.78 | ITGB3 (0.55) | ITGB3ITGA2BCYP24A1CYP26A1MAOB | |
| SCHEMBL8200699 | 0.78 | ITGB3 (0.55) | ITGB3ITGA2BCYP24A1CYP26A1MAOB |
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-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 |