Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | STAT3 | P40763 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PRCP | P42785 | 3/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 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 | |
|---|---|---|---|---|
| SCHEMBL8204772 | 0.94 | HTR2C (0.50) | HTR2CACHEITGB3ITGA2BMCHR1 | |
| SCHEMBL8201273 | 0.91 | HTR2C (0.48) | HTR2CACHEITGB3ITGA2BLMNA | |
| SCHEMBL8200256 | 0.91 | NAMPT (0.47) | HTR2CACHEITGB3ITGA2BALDH1A1 | |
| SCHEMBL8199033 | 0.87 | HTR2C (0.46) | HTR2CACHEITGB3ITGA2BMCHR1 | |
| SCHEMBL8198779 | 0.87 | HTR2C (0.47) | HTR2CACHEITGB3ITGA2B | |
| SCHEMBL8198493 | 0.87 | MAPT (0.47) | HTR2CACHEITGB3ITGA2BALDH1A1 | |
| SCHEMBL8200675 | 0.85 | HTR2C (0.49) | HTR2CALDH1A1PRCPMCHR1 | |
| SCHEMBL8198980 | 0.85 | HTR2C (0.55) | HTR2CMCHR1 | |
| SCHEMBL8204780 | 0.84 | ACHE (0.44) | HTR2CACHEITGB3ITGA2BPRCP | |
| SCHEMBL8204778 | 0.84 | ACHE (0.44) | HTR2CACHEITGB3ITGA2BPRCP |
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 |
|---|---|---|---|---|---|---|---|
| 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 |