Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.49 |
| ▸ | BACE1 | P56817 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 12/20 | 0.44 |
| ▸ | HTR7 | P34969 | 12/20 | 0.44 |
| ▸ | CCR3 | P51677 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | HTR6 | P50406 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL4909568 | 0.86 | ACHE (0.48) | ACHEBACE1HTR1AHTR7CCR3 | |
| SCHEMBL4649642 | 0.86 | CA2 (0.46) | ACHEBACE1MEN1NPC1LMNA | |
| SCHEMBL4623805 | 0.82 | HTR7 (0.49) | HTR1AHTR7DRD2HTR6MEN1 | |
| SCHEMBL4623995 | 0.81 | HTR1A (0.47) | HTR1AHTR7DRD2HTR6MEN1 | |
| SCHEMBL14020216 | 0.78 | HTR1A (0.46) | HTR1AHTR7DRD2HTR6MEN1 | |
| SCHEMBL4884847 | 0.76 | HTR2A (0.49) | HTR1AHTR7DRD2MEN1NPC1 | |
| SCHEMBL3298093 | 0.75 | MAPT (0.50) | ACHEBACE1MEN1NPC1LMNA | |
| SCHEMBL3301666 | 0.73 | TP53 (0.51) | MEN1NPC1LMNAMAPTALOX12 | |
| SCHEMBL14020191 | 0.73 | CDK4 (0.40) | HTR1AHTR7DRD2HTR6LMNA | |
| SCHEMBL13392487 | 0.72 | MAPT (0.51) | MEN1NPC1LMNAMAPTALOX12 |
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 |