Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.62 |
| ▸ | HTR2C | P28335 | 1/20 | 0.62 |
| ▸ | GHSR | Q92847 | 16/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5793472 | 0.88 | GHSR (0.49) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5792698 | 0.84 | GHSR (0.48) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5794299 | 0.81 | CYP2D6 (0.57) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5822073 | 0.78 | CYP2D6 (0.69) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5794926 | 0.77 | CYP2D6 (0.69) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5791441 | 0.77 | GHSR (0.76) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5794423 | 0.77 | CYP2D6 (0.79) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5805037 | 0.75 | CYP2D6 (0.65) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5792759 | 0.75 | CYP2D6 (0.65) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5792756 | 0.75 | CYP2D6 (0.65) | CYP2D6HTR2CGHSRKCNH2CYP3A4 |
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 |