Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.60 |
| ▸ | ESR1 | P03372 | 1/20 | 0.60 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.60 |
| ▸ | PGR | P06401 | 1/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.60 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.60 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.60 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11273552 | 0.99 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| SCHEMBL11288822 | 0.95 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| SCHEMBL11275363 | 0.94 | ALDH1A1 (0.62) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| SCHEMBL11276103 | 0.94 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| SCHEMBL11278678 | 0.94 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| Acetic Acid SCHEMBL11335466 | 0.93 | CYP3A4 (0.54) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| SCHEMBL11274355 | 0.92 | CYP19A1 (0.57) | CYP1A2CYP3A4CYP2D6CYP19A1CYP11B1 | |
| Nitric Acid SCHEMBL11275468 | 0.91 | L3MBTL1 (0.66) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| SCHEMBL11274465 | 0.90 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| SCHEMBL11270065 | 0.88 | CYP19A1 (0.56) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA |
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 |