Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.59 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.56 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.54 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.48 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3672929 | 0.87 | TRPA1 (0.67) | TRPA1TAAR1AOC3RIPK1CACNA1F | |
| SCHEMBL7761093 | 0.85 | HRH1 (0.50) | TRPA1TAAR1AOC3CACNA1FCHRM2 | |
| SCHEMBL3864354 | 0.82 | TRPA1 (0.61) | TRPA1TAAR1AOC3RIPK1CACNA1F | |
| SCHEMBL9579271 | 0.82 | TRPA1 (0.61) | TRPA1TAAR1AOC3RIPK1CACNA1F | |
| SCHEMBL508412 | 0.82 | TRPA1 (0.61) | TRPA1TAAR1AOC3RIPK1CACNA1F | |
| SCHEMBL15093734 | 0.81 | TRPA1 (0.61) | TRPA1TAAR1AOC3RIPK1CHRM2 | |
| SCHEMBL3674520 | 0.80 | TRPA1 (0.59) | TRPA1TAAR1AOC3RIPK1CACNA1F | |
| Hydrogen Peroxide SCHEMBL11213135 | 0.80 | TRPA1 (0.65) | TRPA1TAAR1AOC3RIPK1ALDH1A1 | |
| SCHEMBL4433686 | 0.78 | TAAR1 (0.60) | TRPA1TAAR1AOC3RIPK1SLC6A3 | |
| SCHEMBL7041592 | 0.78 | TRPA1 (0.57) | TRPA1TAAR1AOC3RIPK1ALDH1A1 |
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-2015126462-A1 | PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS | MATERIA, INC. (US) | 2015-08-27 | — | — | WO | disclosed |