Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 20/20 | 0.55 |
| ▸ | NR1I2 | O75469 | 9/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3485825 | 0.84 | CACNA1B (0.55) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL8269773 | 0.80 | CACNA1B (0.60) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL2992925 | 0.79 | ALDH1A1 (0.46) | CACNA1B | |
| SCHEMBL3768667 | 0.79 | CACNA1B (0.59) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3486136 | 0.79 | CACNA1B (0.68) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL8225052 | 0.79 | CACNA1B (0.51) | CACNA1BNR1I2CYP3A4 | |
| Hydrochloric Acid SCHEMBL4275282 | 0.78 | CACNA1B (0.50) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL3484652 | 0.78 | CACNA1B (0.66) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL13300720 | 0.77 | CACNA1B (0.60) | CACNA1BNR1I2 | |
| SCHEMBL3485073 | 0.76 | CACNA1B (0.70) | CACNA1BNR1I2CYP3A4 |
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-2009040659-A2 | BENZENESULFONAMIDE COMPOUNDS AND THE USE THEREOF | PURDUE PHARMA L.P. (DE) | 2009-04-02 | — | — | WO | disclosed |