Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | GRIA1 | P42261 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13564781 | 0.85 | CYP2D6 (0.43) | CYP2D6KDM4EALDH1A1KCNH2POLB | |
| SCHEMBL10113873 | 0.85 | CYP2D6 (0.46) | CYP2D6KDM4EALDH1A1KCNH2POLB | |
| SCHEMBL13105492 | 0.85 | CHRM2 (0.50) | CYP2D6KDM4EALDH1A1KCNH2POLB | |
| SCHEMBL13565786 | 0.80 | THRB (0.46) | CYP2D6ALDH1A1GRIA1KMT2A | |
| SCHEMBL10113868 | 0.78 | EPHX2 (0.57) | CYP2D6 | |
| SCHEMBL13565781 | 0.75 | GRIA1 (0.43) | ALDH1A1GRIA1GAAKMT2A | |
| SCHEMBL10113825 | 0.74 | THRB (0.53) | CYP2D6KDM4EALDH1A1POLBGAA | |
| SCHEMBL13564793 | 0.73 | GRIA1 (0.50) | KDM4EGRIA1 | |
| SCHEMBL13565424 | 0.73 | GRIA1 (0.43) | KDM4EALDH1A1GRIA1GAA | |
| SCHEMBL13565535 | 0.71 | GRIA1 (0.47) | KDM4EALDH1A1GRIA1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-9139518-B2 | Amine derivative having NPY Y5 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2015-09-22 | — | — | US | disclosed |
| US-8299265-B2 | Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof | SHIONOGI & CO., LTD. (JP) | 2012-10-30 | — | — | US | disclosed |