Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.74 |
| ▸ | GHSR | Q92847 | 10/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CACNA2D1 | P54289 | 4/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5791006 | 0.93 | CYP2D6 (0.67) | CYP2D6GHSRKCNH2CYP3A4CACNA2D1 | |
| SCHEMBL5791730 | 0.89 | GHSR (0.73) | CYP2D6GHSRKCNH2CYP3A4 | |
| SCHEMBL5791115 | 0.87 | GHSR (0.58) | CYP2D6GHSRKCNH2CYP3A4 | |
| SCHEMBL5790809 | 0.87 | GHSR (0.58) | CYP2D6GHSRKCNH2CYP3A4CACNA2D1 | |
| SCHEMBL5794299 | 0.87 | CYP2D6 (0.57) | CYP2D6GHSRKCNH2CYP3A4CACNA2D1 | |
| SCHEMBL5792111 | 0.87 | CYP2D6 (0.56) | CYP2D6GHSRKCNH2CYP3A4CACNA2D1 | |
| SCHEMBL5793560 | 0.87 | CYP2D6 (0.56) | CYP2D6GHSRKCNH2CYP3A4CACNA2D1 | |
| SCHEMBL5793556 | 0.87 | CYP2D6 (0.56) | CYP2D6GHSRKCNH2CYP3A4CACNA2D1 | |
| SCHEMBL5795087 | 0.86 | CYP2D6 (0.58) | CYP2D6GHSRKCNH2CYP3A4 | |
| SCHEMBL5791737 | 0.86 | CYP2D6 (0.58) | CYP2D6GHSRKCNH2CYP3A4 |
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-2006012577-A2 | QUINAZOLINONE DERIVATIVES USEFUL FOR THE REGULATION OF GLUCOSE HOMEOSTASIS AND FOOD INTAKE | BAYER PHARMACEUTICALS CORPORATION (US) | 2006-02-02 | — | — | WO | disclosed |