Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 7/20 | 0.40 |
| ▸ | DRD2 | P14416 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6369819 | 0.87 | BCL2 (0.38) | — | |
| SCHEMBL19055956 | 0.84 | OPRM1 (0.37) | DRD2DRD1DRD4 | |
| SCHEMBL7475153 | 0.81 | OPRM1 (0.36) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL8339942 | 0.81 | OPRM1 (0.36) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL6651633 | 0.80 | OPRM1 (0.48) | DRD2ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6651630 | 0.80 | OPRM1 (0.48) | DRD2ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL16879019 | 0.77 | ADORA2A (0.43) | — | |
| SCHEMBL16889003 | 0.77 | ADORA2A (0.43) | — | |
| SCHEMBL7481048 | 0.76 | ADRA1D (0.42) | HTR1ADRD2DRD1 | |
| SCHEMBL7481047 | 0.76 | ADRA1D (0.42) | HTR1ADRD2DRD1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2268280-B1 | Quinolizidinone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME (US) | 2013-04-24 | — | — | EP | disclosed |