Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.50 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.50 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.50 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.50 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.50 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.50 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3759371 | 0.85 | PTGDR2 (0.57) | AURKAAURKBPTGDR2ALDH1A1KDM4E | |
| SCHEMBL29634149 | 0.85 | PTGDR2 (0.57) | AURKAAURKBPTGDR2ALDH1A1KDM4E | |
| SCHEMBL16657818 | 0.81 | AURKA (0.42) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL5961843 | 0.80 | CYP3A4 (0.53) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL2039483 | 0.80 | SRD5A2 (0.59) | CYP2C8ALDH1A1TSHR | |
| SCHEMBL13562264 | 0.80 | ESR1 (0.54) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL29788231 | 0.80 | SRD5A2 (0.59) | CYP2C8ALDH1A1TSHR | |
| SCHEMBL24049723 | 0.79 | PGR (0.56) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL3476640 | 0.79 | HSP90AA1 (0.42) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL17577282 | 0.79 | PTGDR2 (0.46) | AURKAAURKBHSP90AA1HSP90AB1PTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-56125332-A | — | — | None | — | — | JP | disclosed |
| CN-114773249-A | Compounds, pharmaceutical compositions and methods for treating inflammatory diseases | 艾匹克治疗公司 | 2022-07-22 | — | — | CN | disclosed |
| JP-S56125332-A | CYCLOHEXENE DERIVATIVE AND ITS PREPARATION | NIPPON SHINYAKU CO LTD | 1981-10-01 | — | — | JP | disclosed |