Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 5/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.46 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL8201273 | 0.95 | HTR2C (0.48) | HTR2CACHEITGB3ITGA2BDGAT1 | |
| SCHEMBL8192524 | 0.94 | HTR2C (0.47) | HTR2CACHEITGB3ITGA2BDGAT1 | |
| SCHEMBL8199033 | 0.93 | HTR2C (0.46) | HTR2CACHEITGB3ITGA2BDGAT1 | |
| SCHEMBL8198493 | 0.92 | MAPT (0.47) | HTR2CACHEITGB3ITGA2BMCHR1 | |
| SCHEMBL8200256 | 0.92 | NAMPT (0.47) | HTR2CACHEITGB3ITGA2BCCR5 | |
| SCHEMBL8198779 | 0.91 | HTR2C (0.47) | HTR2CACHEITGB3ITGA2BCCR5 | |
| SCHEMBL8204780 | 0.90 | ACHE (0.44) | HTR2CACHEITGB3ITGA2BMCHR1 | |
| SCHEMBL8204778 | 0.90 | ACHE (0.44) | HTR2CACHEITGB3ITGA2BMCHR1 | |
| SCHEMBL8200675 | 0.89 | HTR2C (0.49) | HTR2CMCHR1HTR7 | |
| SCHEMBL8198980 | 0.88 | HTR2C (0.55) | HTR2CMCHR1SIGMAR1HTR7DRD2 |
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 |