Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 4/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | JAK3 | P52333 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 4/20 | 0.36 |
| ▸ | DRD2 | P14416 | 4/20 | 0.36 |
| ▸ | HTR2A | P28223 | 4/20 | 0.36 |
| ▸ | HTR7 | P34969 | 4/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | INSR | P06213 | 1/20 | 0.35 |
| ▸ | IGF1R | P08069 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | TEK | Q02763 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4876637 | 0.86 | CDK2 (0.39) | CDK2CDK4CCNE1IKBKBCHUK | |
| SCHEMBL14020190 | 0.84 | CDK2 (0.38) | CDK2CDK4CCNE1IKBKBCHUK | |
| SCHEMBL4623336 | 0.83 | HTR1A (0.42) | CDK2CDK4CCNE1CA2CA1 | |
| SCHEMBL14020182 | 0.82 | IKBKB (0.47) | CDK2CDK4CCNE1IKBKBCHUK | |
| SCHEMBL4882378 | 0.82 | CDK2 (0.38) | CDK2CDK4CCNE1IKBKBCHUK | |
| SCHEMBL4623334 | 0.82 | HTR1A (0.41) | CDK2CDK4CCNE1CA2CA1 | |
| SCHEMBL4623357 | 0.81 | JAK2 (0.48) | CDK2CDK4CCNE1CA2CA1 | |
| SCHEMBL14020201 | 0.81 | CDK2 (0.38) | CDK2CDK4CCNE1IKBKBCHUK | |
| Hydrochloric Acid SCHEMBL4881375 | 0.80 | JAK2 (0.47) | CDK2CDK4CCNE1CA2CA1 | |
| SCHEMBL4621951 | 0.80 | MEN1 (0.47) | CDK2CDK4CCNE1CA2CA1 |
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 |