Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.57 |
| ▸ | PGR | P06401 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.57 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.57 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL11278678 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| SCHEMBL11283021 | 0.95 | ALDH1A1 (0.58) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| SCHEMBL11272141 | 0.94 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| SCHEMBL11281758 | 0.93 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| SCHEMBL11287464 | 0.93 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL11273552 | 0.92 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| SCHEMBL11304071 | 0.92 | CYP19A1 (0.53) | CYP1A2CYP3A4CYP2D6CYP19A1CYP11B1 | |
| SCHEMBL11299448 | 0.91 | CYP11B1 (0.58) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| SCHEMBL11267360 | 0.89 | ALDH1A1 (0.53) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| SCHEMBL11272425 | 0.89 | ALDH1A1 (0.53) | 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 1 patent. 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 | disclosed |