Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | PRCP | P42785 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.38 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8204778 | 1.00 | ACHE (0.44) | ACHEMCHR1SIGMAR1HTR2CDRD2 | |
| SCHEMBL8204772 | 0.90 | HTR2C (0.50) | ACHEMCHR1SIGMAR1HTR2CDRD2 | |
| SCHEMBL8201036 | 0.89 | MCHR1 (0.46) | MCHR1SIGMAR1HTR2CDRD2 | |
| SCHEMBL8201035 | 0.89 | MCHR1 (0.46) | MCHR1SIGMAR1HTR2CDRD2 | |
| SCHEMBL8201273 | 0.86 | HTR2C (0.48) | ACHEMCHR1SIGMAR1HTR2CITGB3 | |
| SCHEMBL8192524 | 0.84 | HTR2C (0.47) | ACHEMCHR1HTR2CITGB3ITGA2B | |
| SCHEMBL8199033 | 0.84 | HTR2C (0.46) | ACHEMCHR1HTR2CDRD2DRD4 | |
| SCHEMBL8198493 | 0.83 | MAPT (0.47) | ACHEMCHR1SIGMAR1HTR2CDRD2 | |
| SCHEMBL8205410 | 0.83 | DRD2 (0.41) | SIGMAR1DRD2DRD4DRD3CCR5 | |
| SCHEMBL8205411 | 0.83 | DRD2 (0.41) | SIGMAR1DRD2DRD4DRD3CCR5 |
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 |