Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 9/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 6/20 | 0.35 |
| ▸ | CNR2 | P34972 | 6/20 | 0.35 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4778523 | 0.76 | SCD (0.40) | CNR1CNR2CACNA1GCACNA2D1CACNA1B | |
| SCHEMBL4795132 | 0.75 | AKT1 (0.52) | — | |
| SCHEMBL4773571 | 0.71 | CNR1 (0.48) | CNR1CNR2CACNA1GCACNA2D1CACNA1B | |
| SCHEMBL4775561 | 0.70 | MAPT (0.43) | CACNA1G | |
| SCHEMBL4773088 | 0.69 | SIGMAR1 (0.36) | CNR1CNR2CACNA2D1CACNA1BCACNB1 | |
| SCHEMBL4779275 | 0.69 | HDAC8 (0.65) | — | |
| SCHEMBL4771297 | 0.67 | NPSR1 (0.46) | — | |
| SCHEMBL4770020 | 0.67 | AKT1 (0.52) | — | |
| SCHEMBL4778352 | 0.66 | ALDH1A1 (0.40) | CYP3A4CNR1 | |
| SCHEMBL4778381 | 0.65 | LSS (0.40) | CYP3A4CYP3A5CACNA1G |
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-1996550-A2 | CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES | Novartis AG (CH) | 2008-12-03 | — | — | EP | claimed |
| WO-2007038459-A2 | CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES | NOVARTIS AG (CH) | 2007-04-05 | — | — | WO | claimed |