Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.96 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.58 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CMA1 | P23946 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MIF | P14174 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL632475 | 0.98 | TAAR1 (1.00) | TAAR1SLC6A4CALM1SLC6A2SLC6A3 | |
| SCHEMBL29633110 | 0.98 | TAAR1 (1.00) | TAAR1SLC6A4CALM1SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL29836913 | 0.96 | TAAR1 (0.96) | TAAR1SLC6A4CALM1SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL857029 | 0.96 | TAAR1 (0.96) | TAAR1SLC6A4CALM1SLC6A2SLC6A3 | |
| Hypochlorous Acid SCHEMBL7493535 | 0.93 | TAAR1 (0.89) | TAAR1SLC6A4CALM1SLC6A2SLC6A3 | |
| SCHEMBL29694229 | 0.87 | TAAR1 (0.79) | TAAR1SLC6A4CALM1SLC6A2SLC6A3 | |
| SCHEMBL1813526 | 0.87 | TAAR1 (0.79) | TAAR1SLC6A4CALM1SLC6A2SLC6A3 | |
| SCHEMBL1253622 | 0.86 | TAAR1 (0.79) | TAAR1SLC6A4CALM1SLC6A2SLC6A3 | |
| SCHEMBL108087 | 0.86 | TAAR1 (0.77) | TAAR1SLC6A4CALM1SLC6A2SLC6A3 | |
| SCHEMBL30928249 | 0.85 | TAAR1 (0.77) | TAAR1SLC6A4CALM1SLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4065473-A | Intermediates in the preparation of 2,3,4,5-tetrahydro-1H-3-benzazepines | HOFFMANN-LA ROCHE INC. (US) | 1977-12-27 | — | — | US | disclosed |