Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | WDR5 | P61964 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.35 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12599452 | 0.97 | KCNH2 (0.41) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12599443 | 0.94 | KCNH2 (0.39) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12599442 | 0.93 | KCNH2 (0.38) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19797772 | 0.79 | TMEM97 (0.40) | KCNH2CYP1A2CYP2D6CYP2C19WDR5 | |
| SCHEMBL12599382 | 0.79 | MC4R (0.44) | HSP90AA1SLC6A4TMEM97SIGMAR1 | |
| SCHEMBL12599446 | 0.77 | CYP2D6 (0.50) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12599383 | 0.76 | CYP2D6 (0.58) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12599454 | 0.76 | CYP2D6 (0.58) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13203251 | 0.71 | TMPRSS2 (0.53) | CYP2D6WDR5ALDH1A1CYP2A6TSHR | |
| SCHEMBL12599447 | 0.71 | CYP2D6 (0.52) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011073487-A1 | PROCEDURE FOR THE ENANTIOSELECTIVE ADDITION OF ORGANOZINC COMPOUNDS TO COMPOUNDS DERIVED FROM ACETOPHENONES | UNIVERSIDAD DE VALLADOLID (ES) | 2011-06-23 | — | — | WO | disclosed |