Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.46 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.36 |
| ▸ | GABBR1 | Q9UBS5 | 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 | |
|---|---|---|---|---|
| SCHEMBL2632859 | 0.83 | ADRA2A (0.47) | AOC3SLC6A2SLC6A4SLC6A3TDP1 | |
| SCHEMBL3428926 | 0.79 | HTR2A (0.61) | AOC3CCR5SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL21739939 | 0.79 | HTR2A (0.61) | AOC3CCR5SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL21739938 | 0.79 | HTR2A (0.61) | AOC3CCR5SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14453308 | 0.77 | CYP17A1 (0.47) | AOC3ESR1ESR2GABBR2GABBR1 | |
| SCHEMBL21787711 | 0.75 | AOC3 (0.48) | AOC3SLC6A2SLC6A4SLC6A3TAAR1 | |
| SCHEMBL19993093 | 0.75 | AOC3 (0.48) | AOC3SLC6A2SLC6A4SLC6A3TAAR1 | |
| SCHEMBL19003594 | 0.75 | ESR1 (0.44) | AOC3SLC6A2SLC6A3ESR1ESR2 | |
| SCHEMBL18595195 | 0.75 | TRPA1 (0.42) | AOC3TDP1ESR1ESR2GABBR2 | |
| SCHEMBL2615282 | 0.75 | GABBR2 (0.55) | AOC3TAAR1ESR1ESR2GABBR2 |
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-2021250461-A1 | SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME | ARBUTUS BIOPHARMA CORPORATION (CA) | 2021-12-16 | — | — | WO | disclosed |