Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.37 |
| ▸ | KCNB1 | Q14721 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | NNMT | P40261 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20738701 | 0.83 | CYP3A4 (0.40) | TAAR1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL24925770 | 0.82 | CYP3A4 (0.42) | TAAR1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL30824556 | 0.82 | TAAR1 (0.54) | TAAR1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL29793607 | 0.82 | TAAR1 (0.54) | TAAR1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL3353023 | 0.82 | TAAR1 (0.54) | TAAR1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL4196024 | 0.82 | CYP3A4 (0.44) | TAAR1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL38661913 | 0.82 | CYP3A4 (0.44) | TAAR1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL2936969 | 0.82 | TAAR1 (0.54) | TAAR1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL18793289 | 0.82 | TAAR1 (0.54) | TAAR1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL15994343 | 0.80 | TAAR1 (0.52) | TAAR1CYP3A4CYP2D6SLC6A2SLC6A4 |
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-3365334-B1 | BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS | OTSUKA PHARMA CO LTD (JP) | 2024-07-17 | — | — | EP | disclosed |