Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | PDE4A | P27815 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CDC25B | P30305 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.49 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28486818 | 0.87 | CYP2C8 (0.56) | ALDH1A1CYP2C8CYP2C9KDM4EAKR1C3 | |
| SCHEMBL28701819 | 0.85 | ALDH1A1 (0.53) | ALDH1A1CYP2C8CYP2C9KDM4EAKR1C3 | |
| SCHEMBL1667165 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP2C8CYP2C9KDM4EAKR1C3 | |
| SCHEMBL28062549 | 0.83 | ALDH1A1 (0.59) | ALDH1A1CYP2C8CYP2C9KDM4EAKR1C3 | |
| SCHEMBL27449650 | 0.83 | ALDH1A1 (0.54) | ALDH1A1CYP2C8CYP2C9KDM4EAKR1C3 | |
| SCHEMBL472751 | 0.83 | ALDH1A1 (0.63) | ALDH1A1CYP2C8CYP2C9AKR1C3PDE4A | |
| SCHEMBL1666495 | 0.81 | ALDH1A1 (0.53) | ALDH1A1CYP2C8CYP2C9KDM4EAKR1C3 | |
| Benzophenone SCHEMBL27513399 | 0.81 | ALDH1A1 (0.61) | ALDH1A1CYP2C8CYP2C9AKR1C3PDE4A | |
| SCHEMBL5959807 | 0.80 | CYP2C9 (0.58) | ALDH1A1CYP2C8CYP2C9AKR1C3PDE4A | |
| SCHEMBL6422025 | 0.80 | ALDH1A1 (0.56) | ALDH1A1CYP2C8CYP2C9KDM4EAKR1C3 |
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-0999256-B1 | COMPOUNDS FOR ORGANIC EL ELEMENT AND ORGANIC EL ELEMENT | TDK CORP (JP) | 2007-02-14 | — | — | EP | disclosed |
| US-6399223-B1 | Compound for use in organic EL device and organic EL device | TDK CORPORATION (JP) | 2002-06-04 | — | — | US | disclosed |
| EP-0999256-A1 | COMPOUNDS FOR ORGANIC EL ELEMENT AND ORGANIC EL ELEMENT | TDK Corporation (JP) | 2000-05-10 | — | — | EP | disclosed |