Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 7/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.47 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.44 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8199811 | 0.88 | CYP26A1 (0.47) | CYP26A1ITGB3ITGA2BSRD5A1SRD5A2 | |
| SCHEMBL9431207 | 0.79 | METAP1 (0.51) | CYP26A1CYP19A1DGAT1CYP24A1 | |
| SCHEMBL8200249 | 0.77 | THRA (0.52) | CYP26A1ITGB3ITGA2BSRD5A1SRD5A2 | |
| SCHEMBL9431516 | 0.75 | CYP19A1 (0.56) | CYP19A1 | |
| SCHEMBL20809677 | 0.74 | CYP26A1 (0.82) | CYP26A1ITGB3ITGA2BCYP19A1CYP24A1 | |
| SCHEMBL8200931 | 0.73 | ITGB3 (0.58) | CYP26A1ITGB3ITGA2BCYP19A1CYP24A1 | |
| Hydrochloric Acid SCHEMBL11808367 | 0.72 | SRD5A2 (0.79) | SRD5A1SRD5A2 | |
| Hydrochloric Acid SCHEMBL11806873 | 0.72 | SRD5A2 (0.79) | SRD5A1SRD5A2 | |
| SCHEMBL8198980 | 0.71 | HTR2C (0.55) | — | |
| SCHEMBL9431751 | 0.70 | F7 (0.42) | CYP26A1CYP19A1 |
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 | disclosed |
| WO-1998036749-A1 | TETRALONE DERIVATIVES AS ANTIARRHYTHMIC AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-08-27 | — | — | WO | disclosed |