Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 16/20 | 0.77 |
| ▸ | DRD2 | P14416 | 7/20 | 0.67 |
| ▸ | DRD3 | P35462 | 2/20 | 0.55 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | DRD5 | P21918 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9119857 | 1.00 | HTR1A (0.77) | HTR1ADRD2DRD3DRD1DRD4 | |
| SCHEMBL8900398 | 0.87 | HTR1A (1.00) | HTR1ADRD2DRD3DRD1DRD4 | |
| SCHEMBL8900403 | 0.87 | HTR1A (1.00) | HTR1ADRD2DRD3DRD1DRD4 | |
| Hydrochloric Acid SCHEMBL8900389 | 0.86 | HTR1A (0.98) | HTR1ADRD2DRD3DRD1DRD4 | |
| Hydrochloric Acid SCHEMBL8900392 | 0.86 | HTR1A (0.98) | HTR1ADRD2DRD3DRD1DRD4 | |
| SCHEMBL9121023 | 0.84 | HTR1A (0.77) | HTR1ADRD2DRD3 | |
| SCHEMBL9121014 | 0.84 | HTR1A (0.77) | HTR1ADRD2DRD3 | |
| SCHEMBL9118424 | 0.83 | DRD2 (0.76) | HTR1ADRD2 | |
| SCHEMBL9118429 | 0.83 | DRD2 (0.76) | HTR1ADRD2 | |
| SCHEMBL9120145 | 0.83 | ACHE (0.60) | HTR1ADRD2DRD3DRD1DRD4 |
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-0548664-B1 | 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives | HOFFMANN LA ROCHE (CH) | 1995-05-31 | — | — | EP | disclosed |
| US-5318966-A | Administering the enzyme inhibitor for treating alzheimer's disease, learning enhancement, brain disorders | HOFFMANN-LA ROCHE INC. (US) | 1994-06-07 | — | — | US | disclosed |
| US-5318967-A | Cognition activators for alzheimer's disease, learning enhancement | HOFFMANN-LA ROCHE INC. (US) | 1994-06-07 | — | — | US | disclosed |
| EP-0548664-A1 | 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1993-06-30 | — | — | EP | disclosed |