Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | HTR7 | P34969 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 8/20 | 0.47 |
| ▸ | HTR2C | P28335 | 8/20 | 0.47 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8907199 | 0.80 | HTR7 (0.63) | ALDH1A1HTR7CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8907317 | 0.78 | HTR7 (0.44) | ALDH1A1HTR7CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL30274471 | 0.76 | HTR7 (0.65) | ALDH1A1HTR7CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL30274546 | 0.76 | HTR2A (0.74) | ALDH1A1HTR7CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7497502 | 0.76 | HTR2A (0.76) | ALDH1A1HTR7CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL6407817 | 0.75 | HTR7 (0.61) | HTR7CYP3A4CYP2D6CYP2C19DRD2 | |
| SCHEMBL27695983 | 0.73 | HTR7 (0.65) | ALDH1A1HTR7CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28226649 | 0.73 | HTR7 (0.60) | ALDH1A1HTR7CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL274149 | 0.72 | HTR7 (1.00) | ALDH1A1HTR7CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL30833186 | 0.72 | HTR7 (0.63) | ALDH1A1HTR7CYP3A4CYP2D6CYP2C19 |
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-1997000871-A1 | TETRAHYDRO-BETACARBOLINE DERIVATIVES AND THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1997-01-09 | — | — | WO | disclosed |