Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.74 |
| ▸ | MEN1 | O00255 | 2/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.74 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.73 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.73 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.73 |
| ▸ | LMNA | P02545 | 1/20 | 0.73 |
| ▸ | ESR1 | P03372 | 1/20 | 0.73 |
| ▸ | PGR | P06401 | 1/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | PKM | P14618 | 1/20 | 0.73 |
| ▸ | TSHR | P16473 | 1/20 | 0.73 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.73 |
| ▸ | HTR2A | P28223 | 1/20 | 0.73 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL21083242 | 1.00 | CYP1A2 (0.74) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 | |
| Clemizole SCHEMBL29938 | 0.85 | HIF1A (1.00) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL13508637 | 0.85 | CYP1A2 (0.82) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 | |
| Clemizole SCHEMBL29403196 | 0.85 | HIF1A (1.00) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL15568337 | 0.84 | CYP1A2 (0.97) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL13144806 | 0.84 | CYP1A2 (0.80) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 | |
| Clemizole SCHEMBL19976072 | 0.84 | HIF1A (0.97) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 | |
| Clemizole SCHEMBL31707402 | 0.84 | HIF1A (1.00) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 | |
| Clemizole SCHEMBL19976068 | 0.84 | HIF1A (0.97) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 | |
| Clemizole SCHEMBL210095 | 0.84 | HIF1A (1.00) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 |
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-3976187-A1 | METHODS AND COMPOSITIONS FOR TREATING EPILEPSY | The Regents of the University of California (US) | 2022-04-06 | — | — | EP | disclosed |
| CN-114007692-A | Methods and compositions for treating epilepsy | 加利福尼亚大学董事会 | 2022-02-01 | — | — | CN | disclosed |