Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL14456940 | 0.91 | KCNH2 (0.45) | CYP3A4 | |
| SCHEMBL14456945 | 0.88 | CYP3A4 (0.49) | CYP3A4ALDH1A1 | |
| SCHEMBL14456908 | 0.88 | CYP3A4 (0.54) | CYP3A4 | |
| SCHEMBL14456997 | 0.87 | CYP3A4 (0.50) | CYP3A4ALDH1A1POLB | |
| SCHEMBL14456948 | 0.86 | ALDH1A1 (0.52) | CYP3A4ALDH1A1POLB | |
| SCHEMBL14456946 | 0.85 | CYP3A4 (0.48) | CYP3A4 | |
| SCHEMBL14456933 | 0.83 | CYP3A4 (0.55) | CYP3A4POLB | |
| SCHEMBL14456996 | 0.83 | POLB (0.51) | CYP3A4ALDH1A1POLB | |
| SCHEMBL8418299 | 0.83 | CYP3A4 (0.55) | CYP3A4 | |
| SCHEMBL14456974 | 0.83 | CYP3A4 (0.53) | CYP3A4ALDH1A1POLB |
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-7238688-B2 | Piperidine compounds | SCHERING CORPORATION (US) | 2007-07-03 | — | — | US | disclosed |
| US-7238688-B2 | Piperidine compounds | SCHERING CORPORATION (US) | 2007-07-03 | — | — | US | disclosed |