Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBK1 | Q9UHD2 | 8/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8420482 | 0.92 | ACKR3 (0.50) | TBK1CYP3A4CYP2D6 | |
| SCHEMBL13392008 | 0.88 | CYP3A4 (0.51) | CYP3A4 | |
| SCHEMBL13391909 | 0.88 | CYP3A4 (0.51) | CYP3A4 | |
| SCHEMBL13391767 | 0.88 | CYP3A4 (0.51) | CYP3A4 | |
| SCHEMBL13391589 | 0.84 | CYP3A4 (0.55) | CYP3A4CYP2D6 | |
| SCHEMBL13392194 | 0.83 | CYP3A4 (0.44) | CYP3A4CYP2D6 | |
| SCHEMBL14188233 | 0.83 | CYP3A4 (0.44) | CYP3A4CYP2D6 | |
| SCHEMBL13391433 | 0.83 | CYP3A4 (0.54) | CYP3A4CYP2D6 | |
| SCHEMBL14355764 | 0.83 | CYP3A4 (0.54) | CYP3A4CYP2D6 | |
| SCHEMBL13391460 | 0.83 | CYP3A4 (0.54) | CYP3A4CYP2D6 |
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-2008108957-A2 | PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN | SCHERING CORPORATION (US) | 2008-09-12 | — | — | WO | disclosed |