Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 10/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4556574 | 0.75 | KCNA5 (0.46) | KCNA5KCNH2KDM4ECYP3A4CYP3A5 | |
| SCHEMBL4556571 | 0.75 | KDM4E (0.46) | KCNA5KCNH2KDM4ECYP3A4CYP3A5 | |
| SCHEMBL4190585 | 0.74 | KCNA5 (0.47) | KCNA5KCNH2KDM4ECYP3A4CHRNB2 | |
| SCHEMBL4195384 | 0.66 | KCNA5 (0.50) | KCNA5KCNH2KDM4ECYP3A4CYP3A5 | |
| SCHEMBL3431567 | 0.66 | CYP3A4 (0.50) | KCNA5CYP3A4CYP3A5CYP19A1 | |
| SCHEMBL2421346 | 0.63 | CYP19A1 (0.50) | KCNA5CYP3A4CYP19A1 | |
| SCHEMBL1377092 | 0.62 | KDM4E (0.56) | KCNA5KCNH2KDM4ECYP3A4CHRNB2 | |
| SCHEMBL8606730 | 0.62 | CYP3A4 (0.54) | KCNA5KCNH2CYP3A4CYP3A5CYP19A1 | |
| SCHEMBL28632031 | 0.62 | KCNA5 (0.50) | KCNA5CYP3A4CYP3A5CYP19A1 | |
| SCHEMBL15130367 | 0.62 | KCNA5 (0.40) | KCNA5KCNH2KDM4ECYP3A4CYP3A5 |
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 |