Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 3/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 10/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | WDR91 | A4D1P6 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28797226 | 0.71 | PTGDR2 (0.59) | PTGDR2POLBALDH1A1 | |
| SCHEMBL27884407 | 0.70 | SMN1; SMN2 (0.36) | ALDH1A1 | |
| SCHEMBL27699219 | 0.66 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL27439148 | 0.64 | — | — | |
| SCHEMBL27699407 | 0.63 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL27719713 | 0.63 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL27397703 | 0.63 | MEN1 (0.36) | POLBALDH1A1 | |
| SCHEMBL27884255 | 0.62 | GSK3B (0.35) | ALDH1A1 | |
| Methylamine SCHEMBL27628958 | 0.61 | HCAR2 (0.39) | POLBALDH1A1 | |
| SCHEMBL1082315 | 0.59 | KDM4E (0.62) | PTGDR2POLBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102648199-A | Piperidine compound and use thereof | ASTRAZENECA AB | 2012-08-22 | — | — | CN | disclosed |