Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.45 |
| ▸ | CHUK | O15111 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.42 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.42 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.42 |
| ▸ | CDC42BPA | Q5VT25 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3296534 | 0.98 | CHRNB2 (0.54) | CHRNB2CHRNA4ROCK1ROCK2KCNH2 | |
| SCHEMBL31234233 | 0.90 | CHRNB2 (0.53) | CHRNB2CHRNA4HTR1ASLC6A2MKNK1 | |
| SCHEMBL2264859 | 0.90 | CHRNB2 (0.53) | CHRNB2CHRNA4HTR1ASLC6A2MKNK1 | |
| SCHEMBL3655274 | 0.90 | CHRNB2 (0.53) | CHRNB2CHRNA4HTR1ASLC6A2MKNK1 | |
| SCHEMBL29994416 | 0.90 | CHRNB2 (0.53) | CHRNB2CHRNA4HTR1ASLC6A2MKNK1 | |
| SCHEMBL2269304 | 0.90 | CHRNB2 (0.53) | CHRNB2CHRNA4HTR1ASLC6A2MKNK1 | |
| Hydrochloric Acid SCHEMBL22031566 | 0.89 | CHRNB2 (0.51) | CHRNB2CHRNA4ROCK1ROCK2HTR1A | |
| Hydrochloric Acid SCHEMBL31656540 | 0.89 | CHRNB2 (0.51) | CHRNB2CHRNA4ROCK1ROCK2HTR1A | |
| Hydrochloric Acid SCHEMBL1953011 | 0.89 | CHRNB2 (0.51) | CHRNB2CHRNA4ROCK1ROCK2HTR1A | |
| Hydrochloric Acid SCHEMBL28668620 | 0.89 | CHRNB2 (0.51) | CHRNB2CHRNA4ROCK1ROCK2HTR1A |
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 |