Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 4/20 | 0.46 |
| ▸ | HTR1A | P08908 | 3/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | HTR7 | P34969 | 3/20 | 0.46 |
| ▸ | SCN8A | Q9UQD0 | 14/20 | 0.44 |
| ▸ | SCN1A | P35498 | 13/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL4623338 | 0.95 | ACHE (0.49) | ACHEBACE1HTR2AHTR1ADRD2 | |
| SCHEMBL4623348 | 0.91 | ACHE (0.46) | ACHEBACE1HTR2AHTR1ADRD2 | |
| SCHEMBL4886241 | 0.91 | HTR2A (0.47) | ACHEBACE1HTR2AHTR1ADRD2 | |
| SCHEMBL4877846 | 0.88 | SCN1A (0.45) | ACHEBACE1HTR2AHTR1ADRD2 | |
| SCHEMBL4924528 | 0.86 | HTR2A (0.43) | ACHEBACE1HTR2AHTR1ADRD2 | |
| SCHEMBL4884847 | 0.86 | HTR2A (0.49) | HTR2AHTR1ADRD2HTR7MEN1 | |
| SCHEMBL4622285 | 0.85 | HTR2A (0.46) | ACHEBACE1HTR2AHTR1ADRD2 | |
| SCHEMBL4622682 | 0.85 | HTR2A (0.46) | ACHEBACE1HTR2AHTR1ADRD2 | |
| SCHEMBL4621974 | 0.85 | ACHE (0.47) | ACHEBACE1HTR2AHTR1ADRD2 | |
| SCHEMBL4874586 | 0.85 | FAAH (0.47) | HTR2AHTR1ADRD2HTR7HTR2C |
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 |