Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.42 |
| ▸ | CCRL2 | O00421 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1498380 | 1.00 | DRD2 (0.45) | DRD2DRD3RORCPOLBHTT | |
| SCHEMBL12692962 | 1.00 | DRD2 (0.45) | DRD2DRD3RORCPOLBHTT | |
| SCHEMBL1498454 | 0.91 | RORC (0.44) | RORCPOLBKDM4EKDM1AMAOB | |
| SCHEMBL1498455 | 0.91 | RORC (0.44) | RORCPOLBKDM4EKDM1AMAOB | |
| SCHEMBL12688462 | 0.86 | DRD2 (0.47) | DRD2DRD3POLBKDM1AMAOB | |
| SCHEMBL12688426 | 0.86 | DRD2 (0.47) | DRD2DRD3POLBKDM1AMAOB | |
| SCHEMBL12688425 | 0.85 | KDM1A (0.47) | DRD2DRD3POLBHTTKDM1A | |
| SCHEMBL12688441 | 0.85 | KDM1A (0.47) | DRD2DRD3POLBHTTKDM1A | |
| SCHEMBL10476058 | 0.85 | POLB (0.47) | POLBHTTKDM4ESMYD3ALDH1A1 | |
| SCHEMBL10476100 | 0.85 | POLB (0.47) | POLBHTTKDM4ESMYD3ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011035159-A1 | ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | ZALICUS PHARMACEUTICALS LTD. (CA) | 2011-03-24 | — | — | WO | disclosed |