Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 19/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | EBP | Q15125 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL23770882 | 0.82 | SIGMAR1 (0.53) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL14307799 | 0.81 | SIGMAR1 (0.65) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL13664908 | 0.80 | SIGMAR1 (0.56) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL3819419 | 0.79 | SIGMAR1 (0.52) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL8012159 | 0.77 | SIGMAR1 (0.73) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL23770531 | 0.77 | SIGMAR1 (0.50) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL2743258 | 0.76 | SIGMAR1 (0.67) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL14154473 | 0.76 | SIGMAR1 (0.52) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL9479601 | 0.75 | CYP2D6 (0.54) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL7381325 | 0.75 | SIGMAR1 (1.00) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0649407-B1 | DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES | LUNDBECK & CO AS H (DK) | 1998-08-05 | — | — | EP | claimed |