Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP4B1 | P13584 | 3/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.46 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.46 |
| ▸ | CYP2A7 | P20853 | 3/20 | 0.46 |
| ▸ | CYP3A7 | P24462 | 3/20 | 0.46 |
| ▸ | CYP2F1 | P24903 | 3/20 | 0.46 |
| ▸ | CYP2C18 | P33260 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2J2 | P51589 | 3/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20277015 | 0.91 | ALDH1A1 (0.48) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP2E1 | |
| SCHEMBL30862408 | 0.83 | CYP1A1 (0.44) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP2E1 | |
| SCHEMBL17514802 | 0.77 | ALDH1A1 (0.48) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP2E1 | |
| SCHEMBL4153688 | 0.76 | CA1 (0.52) | — | |
| SCHEMBL25356232 | 0.76 | TAAR1 (0.47) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP2E1 | |
| SCHEMBL2954516 | 0.76 | ALDH1A1 (0.79) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP2E1 | |
| SCHEMBL6728763 | 0.75 | PTGS2 (0.49) | — | |
| SCHEMBL30753867 | 0.74 | CYP1A2 (0.48) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL17514872 | 0.74 | ALDH1A1 (0.44) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP2E1 | |
| SCHEMBL8736820 | 0.73 | TAAR1 (0.44) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP2E1 |
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-111244551-B | Electrolyte additive and application thereof in lithium ion battery | 电子科技大学 | 2022-05-03 | — | — | CN | disclosed |