Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13391599 | 0.91 | CYP3A4 (0.50) | CYP3A4CYP2D6KDM4E | |
| SCHEMBL14387692 | 0.91 | CYP3A4 (0.56) | CYP3A4CYP2D6KDM4EALDH1A1MAPT | |
| SCHEMBL13391827 | 0.91 | CYP3A4 (0.50) | CYP3A4CYP2D6KDM4E | |
| SCHEMBL13391588 | 0.90 | CYP3A4 (0.58) | CYP3A4CYP2D6 | |
| SCHEMBL13391452 | 0.90 | CYP3A4 (0.58) | CYP3A4CYP2D6 | |
| SCHEMBL13391433 | 0.88 | CYP3A4 (0.54) | CYP3A4CYP2D6KDM4EALDH1A1MAPT | |
| SCHEMBL14355764 | 0.88 | CYP3A4 (0.54) | CYP3A4CYP2D6KDM4EALDH1A1MAPT | |
| SCHEMBL13391460 | 0.88 | CYP3A4 (0.54) | CYP3A4CYP2D6KDM4EALDH1A1MAPT | |
| SCHEMBL13391490 | 0.87 | CYP3A4 (0.52) | CYP3A4 | |
| SCHEMBL13391041 | 0.87 | CYP3A4 (0.52) | CYP3A4 |
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 |