Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 12/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.47 |
| ▸ | MPG | P29372 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.45 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL14375261 | 0.84 | HRH3 (0.56) | HRH3SIGMAR1HRH4MPGCHRM3 | |
| SCHEMBL13512586 | 0.80 | HRH3 (0.64) | HRH3HRH4MPGCHRM3CXCR4 | |
| SCHEMBL14197766 | 0.77 | HRH3 (0.52) | HRH3SIGMAR1HRH4MPGCHRM3 | |
| SCHEMBL4623756 | 0.77 | HRH3 (0.57) | HRH3HRH4MPGCHRM3CXCR4 | |
| SCHEMBL2750851 | 0.77 | HRH3 (0.62) | HRH3HRH4MPGDRD2 | |
| Hydrochloric Acid SCHEMBL4880416 | 0.76 | HRH3 (0.56) | HRH3HRH4MPGCHRM3CXCR4 | |
| SCHEMBL27864314 | 0.76 | HRH3 (0.58) | HRH3HRH4MPGDRD2 | |
| SCHEMBL31010330 | 0.75 | HRH3 (0.63) | HRH3HRH4MPGDRD2 | |
| SCHEMBL18502880 | 0.75 | CYP11B2 (0.44) | HRH4CXCR4DRD2 | |
| SCHEMBL4111392 | 0.75 | SIGMAR1 (0.53) | HRH3SIGMAR1MPGCHRM3CXCR4 |
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 |