Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 2/20 | 0.40 |
| ▸ | CCR5 | P51681 | 2/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 5/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 3/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL4713689 | 0.83 | SMN1; SMN2 (0.38) | ALDH1A1CCR5 | |
| SCHEMBL21825043 | 0.82 | AR (0.44) | ALDH1A1PGRCCR5PDK2KDM1A | |
| SCHEMBL4713873 | 0.82 | HRH3 (0.38) | ALDH1A1PGR | |
| SCHEMBL4716576 | 0.80 | ALDH1A1 (0.40) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL4714260 | 0.77 | MEN1 (0.43) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL4711851 | 0.76 | HTT (0.43) | ALDH1A1 | |
| SCHEMBL4716374 | 0.75 | CCR5 (0.42) | CCR5HCRTR2 | |
| SCHEMBL21824810 | 0.75 | JAK2 (0.47) | ALDH1A1CCR5PDK2KDM1AAR | |
| SCHEMBL154345 | 0.74 | MAOA (0.42) | ALDH1A1PGRSLC6A3 | |
| SCHEMBL4715539 | 0.73 | ALDH1A1 (0.41) | ALDH1A1 |
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-1933830-A1 | ANTAGONISTS OF SNS SODIUM CHANNELS | Vernalis (R&D) Limited (GB) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007007057-A1 | ANTAGONISTS OF SNS SODIUM CHANNELS | VERNALIS (R & D) LIMITED (GB) | 2007-01-18 | — | — | WO | disclosed |