Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.55 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.55 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.55 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.55 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.55 |
| ▸ | CYP2F1 | P24903 | 2/20 | 0.55 |
| ▸ | CYP2C18 | P33260 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP2J2 | P51589 | 2/20 | 0.55 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.55 |
| ▸ | CYP4F8 | P98187 | 2/20 | 0.55 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL4224633 | 0.86 | BACE1 (0.51) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL20777074 | 0.86 | MAOB (0.53) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| Fluoride SCHEMBL14361225 | 0.85 | BACE1 (0.50) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL7121378 | 0.83 | CA1 (0.48) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL7778479 | 0.82 | ABL1 (0.52) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL12687096 | 0.81 | CYP1A1 (0.55) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL2020140 | 0.79 | ABL1 (0.59) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL5858581 | 0.79 | CYP1A1 (0.53) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL28866454 | 0.79 | CYP1A1 (0.53) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 | |
| SCHEMBL28255761 | 0.79 | TDO2 (0.55) | CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109790189-A | The reactive mesogen coughed up based on dibenzo [D, B] thiophene | 洛马克斯有限公司 | 2019-05-21 | — | — | CN | disclosed |