Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | PDE6A | P16499 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10647428 | 0.98 | TSHR (0.52) | TSHRCYP2C19CYP2D6NR1H2NR1H3 | |
| SCHEMBL10647345 | 0.98 | TSHR (0.52) | TSHRCYP2C19CYP2D6NR1H2NR1H3 | |
| SCHEMBL10652781 | 0.94 | TSHR (0.55) | TSHRCYP2C19CYP2D6NR1H2NR1H3 | |
| SCHEMBL10650495 | 0.86 | TSHR (0.59) | TSHRCYP2C19CYP2D6NR1H2NR1H3 | |
| SCHEMBL10649397 | 0.81 | TSHR (0.53) | TSHRCYP2C19CYP2D6NR1H2NR1H3 | |
| SCHEMBL8092493 | 0.81 | TSHR (0.63) | TSHRCYP2C19CYP2D6NR1H2NR1H3 | |
| SCHEMBL8092566 | 0.81 | SIGMAR1 (0.61) | TSHRCYP2C19HTR1AADRA2AADRA1A | |
| SCHEMBL16329012 | 0.80 | TSHR (0.61) | TSHRCYP2C19CYP2D6NR1H2NR1H3 | |
| SCHEMBL7762911 | 0.80 | TSHR (0.61) | TSHRCYP2C19CYP2D6NR1H2NR1H3 | |
| SCHEMBL10650134 | 0.80 | TSHR (0.52) | TSHRCYP2C19CYP2D6NR1H2NR1H3 |
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-0289262-A2 | Omega-quaternary ammonium alkyl esters and thioesters of acidic nonsteroidal antiinflammatory drugs | SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) | 1988-11-02 | — | — | EP | disclosed |