Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.56 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.53 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.44 |
| ▸ | 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 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23956932 | 0.89 | TAAR1 (0.39) | TAAR1RIPK1AOC3SLC6A2HRH1 | |
| SCHEMBL21688445 | 0.85 | TAAR1 (0.54) | TAAR1RIPK1AOC3SLC6A2TRPA1 | |
| SCHEMBL5046280 | 0.82 | TAAR1 (0.48) | TAAR1RIPK1SLC6A2CACNA1FCHRM2 | |
| SCHEMBL5664123 | 0.82 | RIPK1 (0.63) | TAAR1RIPK1AOC3TRPA1CACNA1F | |
| Bromide SCHEMBL29799767 | 0.80 | TAAR1 (0.46) | TAAR1RIPK1SLC6A2CACNA1FCHRM2 | |
| SCHEMBL14889555 | 0.79 | CYP3A4 (0.38) | TAAR1RIPK1SLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL20427677 | 0.78 | RIPK1 (0.53) | TAAR1RIPK1AOC3TRPA1CACNA1F | |
| SCHEMBL2418232 | 0.78 | RIPK1 (0.53) | TAAR1RIPK1AOC3SLC6A2TRPA1 | |
| SCHEMBL3640369 | 0.78 | SLC6A2 (0.45) | TAAR1SLC6A2 | |
| SCHEMBL8496598 | 0.78 | TAAR1 (0.50) | TAAR1RIPK1AOC3TRPA1KDM4E |
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-3533824-A2 | POLYMERIZATION INITIATOR COMPOSITION, PREPARATION METHOD THEREFOR, AND METHOD FOR PREPARING POLYMER USING SAME | LG Chem, Ltd. (KR) | 2019-09-04 | — | — | EP | disclosed |