Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.61 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.61 |
| ▸ | PGR | P06401 | 2/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.61 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.61 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.61 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.61 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL11279489 | 0.95 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11278579 | 0.93 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11275963 | 0.92 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Nitric Acid SCHEMBL11276076 | 0.92 | L3MBTL1 (0.67) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11286312 | 0.91 | ALDH1A1 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11272141 | 0.90 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11275363 | 0.90 | ALDH1A1 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11272865 | 0.89 | CYP2C9 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11283227 | 0.89 | CYP2C9 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11272761 | 0.89 | ALDH1A1 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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-0064244-A1 | Spermicidal 1-bis(arylalkyl)alkylimidazoles | SYNTEX (U.S.A.) INC. (US) | 1982-11-10 | — | — | EP | claimed |
| EP-0064244-A1 | Spermicidal 1-bis(arylalkyl)alkylimidazoles | SYNTEX (U.S.A.) INC. (US) | 1982-11-10 | — | — | EP | disclosed |