Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 6/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.44 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.44 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.44 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3296537 | 0.98 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL31032787 | 0.94 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL5898927 | 0.76 | CHKA (0.45) | LMNATDP1MAPTALDH1A1 | |
| SCHEMBL74752 | 0.76 | CYP2D6 (0.41) | LMNANPSR1ALDH1A1 | |
| SCHEMBL1456783 | 0.76 | CYP2D6 (0.41) | LMNANPSR1ALDH1A1 | |
| SCHEMBL28643916 | 0.76 | CYP2D6 (0.41) | LMNANPSR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4633661 | 0.74 | CYP2D6 (0.40) | LMNANPSR1ALDH1A1 | |
| SCHEMBL1827943 | 0.73 | LTA4H (0.40) | ALDH1A1 | |
| SCHEMBL6491935 | 0.73 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL188044 | 0.73 | ALDH1A1 (0.41) | MAPTALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2118092-A1 | NEW N, N'- 2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS | Sanofi-Aventis (FR) | 2009-11-18 | — | — | EP | disclosed |
| 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 |
| WO-2008099073-A1 | N, N' -2, 4-DIANILINOPYRIMIDINES PREPARATION AND USE THEREOF AS IKK INHIBITORS PREPARATION AND TEH PHARMACUETICAL COMPOSITIONS THEREOF | SANOFI-AVENTIS (FR) | 2008-08-21 | — | — | WO | disclosed |