Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | DRD1 | P21728 | 7/20 | 0.50 |
| ▸ | DRD5 | P21918 | 3/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8747156 | 0.99 | DRD2 (0.53) | DRD2DRD3DRD1DRD5MAOA | |
| SCHEMBL8747165 | 0.91 | DRD1 (0.53) | DRD2DRD3DRD1DRD5HSD17B10 | |
| SCHEMBL8747086 | 0.91 | DRD2 (0.45) | DRD2DRD3DRD1DRD5MAOA | |
| Bromide SCHEMBL8747151 | 0.90 | DRD1 (0.52) | DRD2DRD3DRD1DRD5HSD17B10 | |
| SCHEMBL8747152 | 0.89 | DRD1 (0.55) | DRD2DRD3DRD1DRD5MAOA | |
| SCHEMBL8747048 | 0.87 | MAOA (0.47) | DRD2DRD3DRD1DRD5MAOA | |
| SCHEMBL8747167 | 0.86 | MAOA (0.49) | DRD2DRD3DRD1DRD5MAOA | |
| SCHEMBL8747052 | 0.86 | MAOA (0.46) | DRD2DRD3DRD1DRD5MAOA | |
| SCHEMBL8972107 | 0.84 | MAOA (0.44) | DRD2DRD3DRD1DRD5MAOA | |
| SCHEMBL8747173 | 0.84 | MAOA (0.47) | DRD1DRD5MAOAHSD17B10MAPK1 |
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 |