Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.53 |
| ▸ | IDO1 | P14902 | 8/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.44 |
| ▸ | FYN | P06241 | 2/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11071440 | 0.93 | IDO1 (0.44) | CYP3A4CYP2C9IDO1CYP1A2CYP2D6 | |
| SCHEMBL11079557 | 0.89 | IDO1 (0.58) | CYP3A4CYP2C9IDO1CYP1A2CYP2D6 | |
| SCHEMBL11632605 | 0.89 | CYP3A4 (0.61) | CYP3A4CYP2C9IDO1CYP1A2CYP2D6 | |
| SCHEMBL11078515 | 0.89 | ALDH1A1 (0.45) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11070048 | 0.85 | IDO1 (0.51) | CYP3A4CYP2C9IDO1CYP1A2CYP2D6 | |
| SCHEMBL11076362 | 0.84 | TDP1 (0.45) | CYP3A4CYP2C9CYP1A2TDP1TBXAS1 | |
| SCHEMBL11081326 | 0.83 | ALDH1A1 (0.48) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11079547 | 0.82 | TBXAS1 (0.45) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11070372 | 0.82 | IDO1 (0.56) | CYP3A4CYP2C9IDO1CYP1A2CYP2D6 | |
| SCHEMBL11070658 | 0.82 | MEN1 (0.41) | CYP3A4CYP2C9CYP1A2TDP1TBXAS1 |
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-0005980-B1 | DERIVATIVES OF SUBSTITUTED N-ALKYL IMIDAZOLES, THEIR PREPARATION AND THESE COMPOUNDS FOR PHARMACEUTICAL USE | SYNTEX (U.S.A.) INC. (US) | 1984-08-29 | — | — | EP | disclosed |
| US-4213991-A | BACTERICIDES, FUNGICIDES, ANTIPROTOZOA | SYNTEX (U.S.A.) INC. (US) | 1980-07-22 | — | — | US | disclosed |