Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | KCNA5 | P22460 | 10/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1377092 | 0.77 | KDM4E (0.56) | KDM4EKCNA5KCNH2CHRNB2CHRNA4 | |
| SCHEMBL4556572 | 0.75 | KCNA5 (0.43) | KDM4EKCNA5KCNH2CHRNB2CHRNA4 | |
| SCHEMBL4556574 | 0.72 | KCNA5 (0.46) | KDM4EKCNA5KCNH2CHRNB2CHRNA4 | |
| SCHEMBL3431567 | 0.66 | CYP3A4 (0.50) | KCNA5CYP3A4CYP3A5 | |
| SCHEMBL15130367 | 0.64 | KCNA5 (0.40) | KDM4EKCNA5KCNH2CYP3A4CYP3A5 | |
| Hydrochloric Acid SCHEMBL16927492 | 0.63 | KCNA5 (0.44) | KDM4EKCNA5KCNH2ALDH1A1 | |
| SCHEMBL20148789 | 0.63 | CYP3A4 (0.62) | KCNA5KCNH2CYP3A4CYP3A5 | |
| SCHEMBL11630827 | 0.63 | KCNA5 (0.49) | KCNA5KCNH2CYP3A4CYP3A5 | |
| SCHEMBL1242906 | 0.63 | KCNA5 (0.61) | KDM4EKCNA5KCNH2CHRNB2CHRNA4 | |
| SCHEMBL1240343 | 0.63 | KCNA5 (0.61) | KDM4EKCNA5KCNH2CHRNB2CHRNA4 |
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-2091918-A2 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2009-08-26 | — | — | EP | claimed |
| WO-2008073687-A2 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2008-06-19 | — | — | WO | claimed |