Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 8/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 5/20 | 0.43 |
| ▸ | DRD4 | P21917 | 5/20 | 0.43 |
| ▸ | DRD5 | P21918 | 5/20 | 0.43 |
| ▸ | DRD3 | P35462 | 5/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8747194 | 0.99 | DRD1 (0.50) | DRD1HTR2ASLC6A9DRD2DRD4 | |
| SCHEMBL8747190 | 0.89 | SLC6A9 (0.58) | DRD1HTR2ASLC6A9DRD2DRD4 | |
| SCHEMBL8747006 | 0.86 | MAOA (0.50) | DRD1DRD2DRD4DRD3 | |
| Bromide SCHEMBL8747268 | 0.85 | KDM4E (0.49) | DRD1DRD2DRD4DRD3 | |
| SCHEMBL8747078 | 0.84 | DRD1 (0.44) | DRD1HTR2ASLC6A9DRD2DRD4 | |
| SCHEMBL8747355 | 0.84 | MAOA (0.50) | DRD1DRD2DRD4DRD3 | |
| Bromide SCHEMBL8747367 | 0.83 | DRD1 (0.43) | DRD1HTR2ASLC6A9DRD2DRD4 | |
| SCHEMBL8747054 | 0.82 | MAOA (0.49) | DRD1DRD2DRD4DRD3 | |
| SCHEMBL7419935 | 0.82 | DRD1 (0.42) | DRD1HTR2ASLC6A9DRD2DRD4 | |
| SCHEMBL8747186 | 0.82 | DRD1 (0.43) | DRD1DRD2DRD5DRD3 |
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 |