Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 8/20 | 0.45 |
| ▸ | DRD2 | P14416 | 5/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | DRD5 | P21918 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747405 | 0.88 | MAOA (0.47) | MAOADRD1DRD2DRD4DRD5 | |
| Bromide SCHEMBL8747099 | 0.87 | MAOA (0.46) | MAOADRD1DRD2DRD4 | |
| SCHEMBL8747113 | 0.87 | MAOA (0.46) | MAOADRD1DRD2DRD4DRD5 | |
| SCHEMBL8747027 | 0.86 | MAOA (0.47) | MAOADRD1DRD2DRD4DRD5 | |
| SCHEMBL8747031 | 0.85 | MAOA (0.46) | MAOADRD1DRD2DRD4DRD5 | |
| SCHEMBL9300326 | 0.85 | MAOA (0.48) | MAOADRD1DRD2DRD4DRD5 | |
| SCHEMBL8747006 | 0.84 | MAOA (0.50) | MAOADRD1DRD2DRD4 | |
| SCHEMBL8747142 | 0.84 | DRD1 (0.53) | DRD1DRD2CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL8747060 | 0.84 | CYP2D6 (0.46) | MAOADRD1DRD2CYP2D6SLC6A2 | |
| SCHEMBL8747015 | 0.84 | MAOA (0.47) | MAOADRD1DRD2DRD4DRD5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0618900-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1997-03-12 | — | — | EP | disclosed |
| US-5519034-A | ANALGESICS | THE BOOTS COMPANY PLC (GB) | 1996-05-21 | — | — | US | disclosed |
| EP-0618900-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS. | BOOTS CO PLC (GB) | 1994-10-12 | — | — | EP | disclosed |
| WO-1993013073-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |