Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 3/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.48 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10798464 | 1.00 | ITGB3 (0.50) | ITGB3ITGA2BKMT2AMEN1ALDH1A1 | |
| SCHEMBL11065515 | 0.98 | MEN1 (0.50) | ITGB3ITGA2BKMT2AMEN1ALDH1A1 | |
| SCHEMBL9345453 | 0.98 | ITGB3 (0.49) | ITGB3ITGA2BKMT2AMEN1ALDH1A1 | |
| SCHEMBL9345463 | 0.98 | ITGB3 (0.49) | ITGB3ITGA2BKMT2AMEN1ALDH1A1 | |
| SCHEMBL11065519 | 0.98 | MEN1 (0.50) | ITGB3ITGA2BKMT2AMEN1ALDH1A1 | |
| SCHEMBL9349584 | 0.97 | ITGB3 (0.48) | ITGB3ITGA2BKMT2AMEN1ALDH1A1 | |
| SCHEMBL9345474 | 0.97 | MEN1 (0.49) | ITGB3ITGA2BKMT2AMEN1ALDH1A1 | |
| SCHEMBL9349012 | 0.97 | MEN1 (0.49) | ITGB3ITGA2BKMT2AMEN1ALDH1A1 | |
| SCHEMBL9345482 | 0.97 | MEN1 (0.49) | ITGB3ITGA2BKMT2AMEN1ALDH1A1 | |
| SCHEMBL9349053 | 0.97 | MEN1 (0.49) | ITGB3ITGA2BKMT2AMEN1ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4704005-A | LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1987-11-03 | — | — | US | disclosed |
| EP-0107116-B1 | DICYANOBENZENES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1986-08-27 | — | — | EP | disclosed |
| EP-0058512-B1 | LIQUID CRYSTAL COMPOUNDS EXHIBITING A SMALL DIELECTRIC ANISOTROPY AND LIQUID CRYSTAL MATERIALS AND DEVICES INCORPORATING SUCH COMPOUNDS | The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) | 1986-01-15 | — | — | EP | disclosed |
| US-4556745-A | BICYCOL(2.2.2) OCATANE RING | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 1985-12-03 | — | — | US | disclosed |
| EP-0107116-A1 | Dicyanobenzenes | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-05-02 | — | — | EP | disclosed |
| US-4439015-A | Disubstituted ethanes | HOFFMANN-LA ROCHE INC. (US) | 1984-03-27 | — | — | US | disclosed |
| EP-0058512-A1 | Liquid crystal compounds exhibiting a small dielectric anisotropy and liquid crystal materials and devices incorporating such compounds | The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) | 1982-08-25 | — | — | EP | disclosed |