Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 7/20 | 0.52 |
| ▸ | CYP24A1 | Q07973 | 6/20 | 0.49 |
| ▸ | CYP27A1 | Q02318 | 3/20 | 0.49 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 4/20 | 0.48 |
| ▸ | HTR2A | P28223 | 4/20 | 0.48 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8205161 | 0.90 | CYP24A1 (0.55) | HTR2CCYP24A1CYP27A1CYP26A1DRD2 | |
| SCHEMBL8199368 | 0.88 | CYP26A1 (0.49) | HTR2CCYP24A1CYP27A1CYP26A1DRD2 | |
| SCHEMBL8204770 | 0.88 | ADRA1D (0.47) | HTR2CCYP24A1CYP27A1CYP26A1DRD2 | |
| SCHEMBL8199521 | 0.87 | DRD2 (0.58) | HTR2CCYP24A1CYP27A1CYP26A1DRD2 | |
| SCHEMBL8198852 | 0.87 | ADRA1D (0.57) | HTR2CCYP24A1CYP27A1CYP26A1DRD2 | |
| SCHEMBL8192177 | 0.86 | HTR2C (0.54) | HTR2CCYP24A1CYP27A1CYP26A1DRD2 | |
| SCHEMBL8200489 | 0.86 | CYP24A1 (0.48) | HTR2CCYP24A1CYP27A1CYP26A1DRD2 | |
| SCHEMBL8198844 | 0.85 | GPR84 (0.47) | HTR2CCYP24A1CYP27A1CYP26A1DRD2 | |
| SCHEMBL8192734 | 0.84 | ADRA1D (0.55) | HTR2CCYP24A1CYP27A1CYP26A1DRD2 | |
| SCHEMBL8200350 | 0.84 | THRA (0.49) | HTR2CCYP24A1CYP27A1CYP26A1DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6048877-A | Tetralone derivatives as antiarrhythmic agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-04-11 | — | — | US | claimed |
| US-6048877-A | Tetralone derivatives as antiarrhythmic agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-04-11 | — | — | US | disclosed |