Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.50 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.49 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.47 |
| ▸ | GBA1 | P04062 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12090436 | 0.85 | CHRM2 (0.64) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL3979979 | 0.83 | CARM1 (0.50) | CARM1PRMT6HRH3 | |
| SCHEMBL9912161 | 0.83 | PRMT6 (0.68) | CARM1PRMT6 | |
| SCHEMBL12424313 | 0.81 | CHRNB2 (0.61) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL12255644 | 0.80 | CHRM2 (0.49) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL20268602 | 0.79 | ALDH1A1 (0.54) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL2743291 | 0.79 | CHRM2 (0.68) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL31054426 | 0.77 | CHRNA7 (0.53) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL27686945 | 0.77 | KDM4E (0.56) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL9534698 | 0.77 | CHRNA7 (0.53) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 |
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-2009056693-A1 | NOVEL DERIVATIVES OF N, N'- 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS MEDICAMENTS PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2009-05-07 | — | — | WO | disclosed |