Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9346287 | 1.00 | L3MBTL1 (0.41) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL9590535 | 0.96 | L3MBTL1 (0.38) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL9590531 | 0.96 | L3MBTL1 (0.38) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL9345977 | 0.96 | L3MBTL1 (0.38) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL9346393 | 0.92 | L3MBTL1 (0.41) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL9346373 | 0.92 | L3MBTL1 (0.41) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL9406197 | 0.90 | RIPK1 (0.39) | L3MBTL1CYP1A2KDM1AGAAMAPT | |
| SCHEMBL9406194 | 0.90 | RIPK1 (0.39) | L3MBTL1CYP1A2KDM1AGAAMAPT | |
| SCHEMBL4593881 | 0.89 | ESR1 (0.40) | PPARGHPGDPTGESALOX5 | |
| SCHEMBL4593883 | 0.89 | ESR1 (0.40) | PPARGHPGDPTGESALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0344557-B1 | Liquid crystal components with a trimethylenoxy group | HOFFMANN LA ROCHE (CH) | 1994-08-10 | — | — | EP | disclosed |
| US-5238600-A | IBIMETHYLENOXY CONTAINING LIQUID CRYSTAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 1993-08-24 | — | — | US | disclosed |
| EP-0344557-A2 | Liquid crystal components with a trimethylenoxy group | F. HOFFMANN-LA ROCHE AG (CH) | 1989-12-06 | — | — | EP | disclosed |