Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL30144700 | 0.73 | KDM4E (0.85) | KDM4EALDH1A1L3MBTL1CHRM2ADRA2A | |
| SCHEMBL28276191 | 0.73 | KDM4E (0.42) | KDM4EALDH1A1CYP2D6LMNANPSR1 | |
| SCHEMBL28132011 | 0.72 | IRAK4 (0.44) | KDM4EALDH1A1CYP2D6NPSR1 | |
| SCHEMBL9542306 | 0.69 | KDM4E (0.41) | KDM4EALDH1A1L3MBTL1CYP2C19CYP3A4 | |
| SCHEMBL5504293 | 0.68 | ALDH1A1 (0.47) | KDM4EALDH1A1L3MBTL1CYP2C19CYP3A4 | |
| SCHEMBL4458402 | 0.66 | ALDH1A1 (0.58) | KDM4EPOLBALDH1A1L3MBTL1CYP2D6 | |
| SCHEMBL4976973 | 0.66 | RPS6KB1 (0.44) | KDM4EPOLBALDH1A1CHRM2ADRA2A | |
| SCHEMBL28256488 | 0.66 | BCAT2 (0.47) | KDM4EALDH1A1CYP2D6CYP2C19DRD3 | |
| SCHEMBL30901588 | 0.66 | CYP3A4 (0.62) | KDM4EPOLBALDH1A1L3MBTL1CYP3A4 | |
| SCHEMBL29220273 | 0.66 | CYP3A4 (0.62) | KDM4EPOLBALDH1A1L3MBTL1CYP3A4 |
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-1807078-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2007-07-18 | — | — | EP | claimed |
| WO-2006042150-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2006-04-20 | — | — | WO | claimed |