Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4131797 | 0.77 | DRD2 (0.56) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL3997682 | 0.74 | HDAC1 (0.45) | ALDH1A1 | |
| SCHEMBL7330236 | 0.74 | KMT2A (0.67) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| Hydrochloric Acid SCHEMBL27396097 | 0.68 | KMT2A (0.55) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL7280286 | 0.68 | ALDH1A1 (0.97) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL3999427 | 0.67 | CHRNA7 (0.41) | CYP2D6 | |
| SCHEMBL1041116 | 0.67 | TSHR (1.00) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL1413908 | 0.67 | KMT2A (1.00) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL474836 | 0.67 | ALDH1A1 (0.66) | ALDH1A1KMT2A | |
| SCHEMBL6867983 | 0.67 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009071577-A1 | OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | GLAXO GROUP LIMITED (GB) | 2009-06-11 | — | — | WO | disclosed |