Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 2/20 | 0.37 |
| ▸ | CACNG8 | Q8WXS5 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5504321 | 0.84 | GRIA1 (0.39) | GRIA1CACNG8KDM4ELMNACHRM2 | |
| SCHEMBL5499457 | 0.82 | AHR (0.42) | GRIA1CACNG8LMNAAHRCMA1 | |
| SCHEMBL5503888 | 0.81 | AHR (0.39) | GRIA1CACNG8AHRCMA1EIF2AK2 | |
| SCHEMBL5499443 | 0.77 | VDR (0.42) | GRIA1CACNG8AHRCMA1EIF2AK2 | |
| SCHEMBL2491904 | 0.74 | AHR (0.50) | GRIA1CACNG8AHRCMA1EIF2AK2 | |
| SCHEMBL5499322 | 0.74 | EPHX2 (0.39) | GRIA1CACNG8AHRCMA1EIF2AK2 | |
| SCHEMBL2486755 | 0.72 | GRIA1 (0.51) | GRIA1CACNG8CYP3A4MAPK1AHR | |
| SCHEMBL11106607 | 0.68 | AHR (0.53) | GRIA1CACNG8AHRCMA1EIF2AK2 | |
| SCHEMBL4660496 | 0.68 | AHR (0.41) | GRIA1CACNG8AHRCMA1EIF2AK2 | |
| SCHEMBL5504351 | 0.68 | AHR (0.41) | GRIA1CACNG8AHRCMA1EIF2AK2 |
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-2401281-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | MSD K.K. (JP) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010098367-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-09-02 | — | — | WO | disclosed |