Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | DRD1 | P21728 | 11/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 8/20 | 0.41 |
| ▸ | DRD5 | P21918 | 7/20 | 0.41 |
| ▸ | DRD3 | P35462 | 7/20 | 0.41 |
| ▸ | DRD4 | P21917 | 5/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8747213 | 0.89 | DRD1 (0.49) | SLC6A9DRD1HTR2ADRD2DRD5 | |
| Hydrochloric Acid SCHEMBL8747194 | 0.88 | DRD1 (0.50) | SLC6A9DRD1HTR2ADRD2DRD5 | |
| SCHEMBL8747405 | 0.87 | MAOA (0.47) | SLC6A9DRD1DRD2DRD5DRD3 | |
| Bromide SCHEMBL8747099 | 0.86 | MAOA (0.46) | SLC6A9DRD1DRD2DRD3DRD4 | |
| SCHEMBL8747142 | 0.85 | DRD1 (0.53) | DRD1DRD2DRD5DRD4 | |
| SCHEMBL8747027 | 0.85 | MAOA (0.47) | SLC6A9DRD1DRD2DRD5DRD3 | |
| SCHEMBL8747031 | 0.84 | MAOA (0.46) | SLC6A9DRD1DRD2DRD5DRD3 | |
| SCHEMBL8747078 | 0.84 | DRD1 (0.44) | SLC6A9DRD1HTR2ADRD2DRD5 | |
| SCHEMBL8747307 | 0.83 | DRD1 (0.41) | SLC6A9DRD1DRD2DRD5DRD4 | |
| Bromide SCHEMBL8747367 | 0.83 | DRD1 (0.43) | SLC6A9DRD1HTR2ADRD2DRD5 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1045291-C | Therapeutic agents | BOOTS CO PLC (GB) | 1999-09-29 | — | — | CN | disclosed |
| 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 |
| CN-1096780-A | Therapeutic agents containing novel tetrahydroisoquinoline compounds | BOOTS CO PLC (GB) | 1994-12-28 | — | — | CN | 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 |