Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20923721 | 0.97 | TRPA1 (0.39) | TRPA1GSK3AGSK3BNR3C1ESR2 | |
| SCHEMBL20923146 | 0.96 | GSK3A (0.39) | TRPA1GSK3AGSK3BNR3C1ESR2 | |
| SCHEMBL20924032 | 0.93 | PDE10A (0.38) | TRPA1GSK3AGSK3BNR3C1ESR2 | |
| SCHEMBL19919602 | 0.92 | TRPA1 (0.43) | TRPA1GSK3AGSK3BNR3C1ESR2 | |
| SCHEMBL20923324 | 0.91 | NR3C1 (0.40) | TRPA1GSK3AGSK3BNR3C1ESR2 | |
| SCHEMBL19919613 | 0.91 | TRPA1 (0.43) | TRPA1GSK3AGSK3BNR3C1ESR2 | |
| SCHEMBL20924126 | 0.90 | AR (0.40) | SMN1; SMN2HIF1ASQORXDHCYP1A2 | |
| SCHEMBL20924133 | 0.90 | TRPA1 (0.39) | TRPA1GSK3AGSK3BNR3C1ESR2 | |
| SCHEMBL20923834 | 0.90 | CYP11B1 (0.40) | SQORCYP19A1XDHCYP1A2CYP2C9 | |
| SCHEMBL19909024 | 0.89 | TRPA1 (0.41) | TRPA1GSK3AGSK3BNR3C1ESR2 |
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-3266772-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2019-04-24 | — | — | EP | disclosed |