Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.82 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.82 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.82 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.82 |
| ▸ | HPGD | P15428 | 1/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL15684679 | 0.90 | CYP1A2 (1.00) | CYP2C19CYP1A2MAPK1CYP2C9HPGD | |
| SCHEMBL6202510 | 0.89 | CYP1A2 (0.97) | CYP2C19CYP1A2MAPK1CYP2C9HPGD | |
| SCHEMBL13315336 | 0.86 | CYP1A2 (0.82) | CYP2C19CYP1A2MAPK1CYP2C9HPGD | |
| SCHEMBL14010678 | 0.82 | CYP1A2 (0.74) | CYP2C19CYP1A2MAPK1CYP2C9HPGD | |
| SCHEMBL4855890 | 0.79 | CYP1A2 (0.74) | CYP2C19CYP1A2MAPK1CYP2C9HPGD | |
| SCHEMBL12123601 | 0.79 | CYP1A2 (0.68) | CYP2C19CYP1A2MAPK1CYP2C9HPGD | |
| SCHEMBL7592799 | 0.78 | CYP1A2 (0.71) | CYP2C19CYP1A2MAPK1CYP2C9HPGD | |
| SCHEMBL6266551 | 0.77 | CYP1A2 (0.70) | CYP2C19CYP1A2MAPK1CYP2C9HPGD | |
| SCHEMBL6318911 | 0.76 | CYP2C19 (0.74) | CYP2C19CYP1A2MAPK1CYP2C9HPGD | |
| SCHEMBL6201736 | 0.76 | GAA (0.60) | CYP2C19CYP1A2MAPK1CYP2C9HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |