Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 6/20 | 0.44 |
| ▸ | DRD2 | P14416 | 4/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | DRD5 | P21918 | 4/20 | 0.42 |
| ▸ | DRD3 | P35462 | 3/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747256 | 0.95 | DRD1 (0.41) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL8747232 | 0.83 | DRD1 (0.45) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL8747075 | 0.83 | MAOA (0.43) | DRD1DRD2DRD4DRD5 | |
| Bromide SCHEMBL8747097 | 0.82 | DRD1 (0.44) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL7620839 | 0.82 | DRD1 (0.57) | DRD1DRD2DRD5 | |
| SCHEMBL7532174 | 0.82 | DRD1 (0.57) | DRD1DRD2DRD5 | |
| SCHEMBL8747379 | 0.82 | MAOA (0.43) | DRD1DRD5 | |
| Bromide SCHEMBL7537739 | 0.81 | DRD1 (0.56) | DRD1DRD2DRD5 | |
| SCHEMBL8971800 | 0.79 | MAOA (0.42) | DRD1DRD5 | |
| SCHEMBL8747078 | 0.79 | DRD1 (0.44) | DRD1DRD2DRD4DRD5DRD3 |
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 |