Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.45 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30608959 | 0.81 | CHRNB2 (0.62) | CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL16515661 | 0.81 | CHRNB2 (0.62) | CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL928568 | 0.80 | CHRNB2 (0.55) | CYP2A6ALDH1A1CYP1A2CYP3A4APP | |
| SCHEMBL930530 | 0.80 | CHRNB2 (0.68) | CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL1865509 | 0.78 | CYP2A6 (0.54) | CYP2A6ALDH1A1CYP1A2CYP3A4APP | |
| SCHEMBL928620 | 0.77 | HRH3 (0.58) | APPKIF11CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL1791787 | 0.77 | CHRNB2 (0.72) | CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL1794946 | 0.77 | HRH3 (0.58) | APPKIF11CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL930536 | 0.77 | CHRNB2 (0.72) | CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL1863933 | 0.77 | ALDH1A1 (0.52) | CYP2A6ALDH1A1CYP1A2CYP3A4APP |
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-2011053705-A1 | PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-05-05 | — | — | WO | disclosed |