Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 5/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747054 | 0.99 | MAOA (0.49) | MAOADRD1MAPK1THPOHIF1A | |
| SCHEMBL8747006 | 0.97 | MAOA (0.50) | MAOADRD1MAPK1THPOHIF1A | |
| Bromide SCHEMBL8747268 | 0.96 | KDM4E (0.49) | MAOADRD1MAPK1THPOHIF1A | |
| SCHEMBL8747280 | 0.95 | MAOA (0.52) | MAOADRD1MAPK1THPOHIF1A | |
| SCHEMBL8747076 | 0.91 | MAOA (0.49) | MAOADRD1MAPK1THPOHIF1A | |
| SCHEMBL8747360 | 0.90 | MAOA (0.46) | MAOADRD1MAPK1THPOHIF1A | |
| Hydrochloric Acid SCHEMBL8747180 | 0.89 | DRD2 (0.46) | MAOADRD1MAPK1THPOHIF1A | |
| SCHEMBL8747027 | 0.89 | MAOA (0.47) | MAOADRD1MAPK1DRD2DRD3 | |
| SCHEMBL8747029 | 0.88 | DRD1 (0.50) | MAOADRD1MAPK1DRD2 | |
| SCHEMBL8747186 | 0.88 | DRD1 (0.43) | MAOADRD1MAPK1THPOHIF1A |
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 |