Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747113 | 0.84 | MAOA (0.46) | MAOAOPRK1DRD2DRD4DRD3 | |
| SCHEMBL8747006 | 0.84 | MAOA (0.50) | MAOADRD2DRD4DRD3 | |
| Bromide SCHEMBL8747268 | 0.83 | KDM4E (0.49) | MAOADRD2DRD4DRD3 | |
| SCHEMBL8747355 | 0.82 | MAOA (0.50) | MAOADRD2DRD4DRD3 | |
| SCHEMBL8747333 | 0.81 | MAOA (0.47) | MAOADRD2DRD4DRD3 | |
| SCHEMBL8747054 | 0.81 | MAOA (0.49) | MAOADRD2DRD4DRD3 | |
| SCHEMBL9300326 | 0.80 | MAOA (0.48) | MAOAKDM1ADRD2DRD4DRD3 | |
| SCHEMBL8747095 | 0.80 | MAOA (0.43) | MAOADRD2DRD4DRD3 | |
| SCHEMBL8747060 | 0.79 | CYP2D6 (0.46) | MAOAKDM1ADRD2DRD4DRD3 | |
| SCHEMBL8747283 | 0.79 | MAOA (0.45) | MAOADRD2DRD4 |
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 |