Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 7/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.45 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.45 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.45 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.45 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.45 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.45 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.43 |
| ▸ | RORC | P51449 | 2/20 | 0.43 |
| ▸ | RORA | P35398 | 1/20 | 0.41 |
| ▸ | RORB | Q92753 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7603869 | 0.81 | SLC6A2 (0.61) | ESR2SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL1459811 | 0.79 | ESR2 (0.58) | ESR2ESR1PSEN1PSEN2APH1B | |
| SCHEMBL532533 | 0.74 | KDM4E (0.46) | SLC6A2SLC6A4SLC6A3KCNH2ESR1 | |
| SCHEMBL3856135 | 0.74 | SLC6A2 (0.48) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL9797411 | 0.74 | SLC6A2 (0.54) | ESR2SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL13900692 | 0.74 | ESR2 (0.56) | ESR2ESR1PSEN1PSEN2APH1B | |
| SCHEMBL3485687 | 0.73 | ALDH1A1 (0.71) | SLC6A2SLC6A4 | |
| SCHEMBL4795215 | 0.72 | KDM4E (0.45) | ESR2SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL2958329 | 0.72 | CNR2 (0.57) | SLC6A2SLC6A4SLC6A3KCNH2PSEN1 | |
| SCHEMBL20082485 | 0.72 | SLC6A2 (0.53) | SLC6A2SLC6A4SLC6A3KCNH2PSEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1904479-A2 | NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS | Sanofi-Aventis (FR) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007006926-A2 | NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2007-01-18 | — | — | WO | disclosed |