Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | PTGES | O14684 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL25302225 | 0.91 | CYP3A4 (0.53) | CYP3A4CYP2C9AKR1B10AKR1B1MAOB | |
| SCHEMBL584959 | 0.90 | CYP3A4 (0.68) | CYP3A4CYP2C9KEAP1ALOX5PTGES | |
| SCHEMBL19437149 | 0.90 | CYP3A4 (0.68) | CYP3A4CYP2C9KEAP1ALOX5PTGES | |
| SCHEMBL19437161 | 0.90 | CYP3A4 (0.68) | CYP3A4CYP2C9KEAP1ALOX5PTGES | |
| SCHEMBL25259728 | 0.86 | ALOX5 (0.54) | CYP3A4CYP2C9AKR1B10AKR1B1KEAP1 | |
| Water SCHEMBL29551973 | 0.85 | CYP3A4 (0.62) | CYP3A4CYP2C9KEAP1ALOX5PTGES | |
| SCHEMBL28209668 | 0.83 | CYP3A4 (0.80) | CYP3A4CYP2C9AKR1B10AKR1B1MAOB | |
| SCHEMBL15419989 | 0.83 | CYP3A4 (0.80) | CYP3A4CYP2C9AKR1B10AKR1B1MAOB | |
| SCHEMBL25301706 | 0.83 | ALDH1A1 (0.56) | CYP3A4CYP2C9AKR1B10AKR1B1MMP1 | |
| SCHEMBL15263105 | 0.83 | ALOX15 (0.52) | CYP3A4CYP2C9AKR1B10AKR1B1MMP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3423429-B1 | MODULATORS OF LIPOXYGENASE AND CYCLOOXYGENASE ENZYME ACTIVITY | UNIV DE MONCTON (CA) | 2023-07-12 | — | — | EP | claimed |