Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 10/20 | 0.52 |
| ▸ | DRD2 | P14416 | 7/20 | 0.52 |
| ▸ | DRD5 | P21918 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | HTR1B | P28222 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | HTR7 | P34969 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747006 | 0.90 | MAOA (0.50) | DRD1DRD2HSD17B10MAPK1DRD3 | |
| Bromide SCHEMBL8747268 | 0.89 | KDM4E (0.49) | DRD1DRD2HSD17B10MAPK1DRD3 | |
| SCHEMBL8747355 | 0.88 | MAOA (0.50) | DRD1DRD2HSD17B10MAPK1DRD3 | |
| SCHEMBL8747054 | 0.87 | MAOA (0.49) | DRD1DRD2HSD17B10MAPK1DRD3 | |
| SCHEMBL8747056 | 0.86 | DRD1 (0.60) | DRD1DRD2DRD5CYP1A2CYP2D6 | |
| SCHEMBL8747186 | 0.86 | DRD1 (0.43) | DRD1DRD2DRD5HSD17B10MAPK1 | |
| SCHEMBL8747280 | 0.85 | MAOA (0.52) | DRD1DRD2HSD17B10MAPK1DRD3 | |
| SCHEMBL8747015 | 0.85 | MAOA (0.47) | DRD1DRD2DRD5HSD17B10MAPK1 | |
| SCHEMBL8747012 | 0.84 | DRD1 (0.50) | DRD1DRD2DRD5TSHRMAPK1 | |
| SCHEMBL8747360 | 0.84 | MAOA (0.46) | DRD1DRD2HSD17B10MAPK1DRD3 |
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 2 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 |
| WO-1993013073-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |