Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | TDO2 | P48775 | 1/20 | 0.30 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1439053 | 0.75 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL276590 | 0.70 | — | — | |
| SCHEMBL11972848 | 0.68 | ALDH1A1 (0.41) | CYP3A4ALDH1A1MAPT | |
| SCHEMBL3459789 | 0.67 | CYP2A6 (0.41) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL15602711 | 0.67 | — | — | |
| SCHEMBL2315785 | 0.67 | CYP2A6 (0.47) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL2125063 | 0.67 | CYP2A6 (0.72) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL184970 | 0.66 | — | — | |
| SCHEMBL6649532 | 0.65 | METAP1 (0.37) | CYP3A4CYP2C19ALDH1A1HDAC6TDO2 | |
| SCHEMBL705698 | 0.65 | CYP2A6 (0.56) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 |
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-1421060-A1 | ANTIVIRAL PROTEASE INHIBITORS | MEDIVIR AB (SE) | 2004-05-26 | — | — | EP | claimed |
| WO-2003018537-A1 | ANTIVIRAL PROTEASE INHIBITORS | MEDIVIR AB (SE) | 2003-03-06 | — | — | WO | claimed |