Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL11284139 | 0.95 | ALDH1A1 (0.50) | ALDH1A1LMNATP53CYP1A2CYP3A4 | |
| SCHEMBL11279219 | 0.92 | ALDH1A1 (0.54) | ALDH1A1LMNATP53CYP1A2CYP3A4 | |
| SCHEMBL11273960 | 0.91 | CYP11B1 (0.52) | ALDH1A1LMNATP53CYP1A2CYP3A4 | |
| SCHEMBL11267370 | 0.91 | CYP11B1 (0.55) | CYP1A2CYP3A4CYP2D6IDO1CYP11B1 | |
| SCHEMBL11275963 | 0.88 | CYP1A2 (0.60) | ALDH1A1LMNATP53CYP1A2CYP3A4 | |
| SCHEMBL11281976 | 0.87 | IDO1 (0.57) | ALDH1A1LMNATP53CYP1A2CYP3A4 | |
| SCHEMBL11279593 | 0.87 | ALDH1A1 (0.51) | ALDH1A1TP53CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11276103 | 0.86 | CYP1A2 (0.57) | ALDH1A1LMNATP53CYP1A2CYP3A4 | |
| SCHEMBL11278678 | 0.86 | CYP1A2 (0.57) | ALDH1A1LMNATP53CYP1A2CYP3A4 | |
| SCHEMBL11283021 | 0.85 | ALDH1A1 (0.58) | ALDH1A1LMNATP53CYP1A2CYP3A4 |
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 |