Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 5/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 5/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | MELK | Q14680 | 1/20 | 0.35 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL23266142 | 0.77 | ALDH1A1 (0.47) | CYP2A6CYP2C19CYP1A2CYP2E1CYP2B6 | |
| SCHEMBL6133271 | 0.74 | CYP2A6 (0.69) | CYP2A6CYP2C19CYP1A2CYP2E1CYP2B6 | |
| SCHEMBL4861567 | 0.73 | ATM (0.47) | CYP1A2CYP3A4CA12CA1CA2 | |
| SCHEMBL1838731 | 0.72 | PTGDR2 (0.41) | CYP2C19CYP1A2CYP2C9CYP3A4EGFR | |
| SCHEMBL1046287 | 0.72 | CYP2E1 (0.38) | CYP2A6CYP2C19CYP1A2CYP2E1CYP2B6 | |
| SCHEMBL9662866 | 0.71 | CYP1A2 (0.44) | CYP2A6CYP2C19CYP1A2CYP2E1CYP2B6 | |
| SCHEMBL1024738 | 0.71 | CLK1 (0.44) | CYP2A6CYP2C19CYP1A2CYP2E1CYP2B6 | |
| SCHEMBL28123379 | 0.71 | CYP1A2 (0.47) | CYP2A6CYP2C19CYP1A2CYP2E1CYP2B6 | |
| SCHEMBL29530507 | 0.71 | CLK1 (0.44) | CYP2A6CYP2C19CYP1A2CYP2E1CYP2B6 | |
| SCHEMBL16791726 | 0.69 | PTGDR2 (0.50) | CYP2C9ALDH1A1 |
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-3080132-A1 | BROMODOMAIN INHIBITORS | AbbVie Inc. (US) | 2016-10-19 | — | — | EP | disclosed |
| WO-2015085925-A1 | BROMODOMAIN INHIBITORS | ABBVIE INC. (US) | 2015-06-18 | — | — | WO | disclosed |