Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 12/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | PKLR | P30613 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | CFD | P00746 | 1/20 | 0.38 |
| ▸ | KLK7 | P49862 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8044492 | 0.90 | CACNA1B (0.54) | CACNA1BCYP3A4NR1I2AKR1C3HSD11B1 | |
| SCHEMBL3025486 | 0.87 | CACNA1B (0.65) | CACNA1BCYP3A4NR1I2AKR1C3HSD11B1 | |
| SCHEMBL3038986 | 0.84 | CACNA1B (0.56) | CACNA1BCYP3A4NR1I2AKR1C3HSD11B1 | |
| SCHEMBL3032278 | 0.84 | CACNA1B (0.59) | CACNA1BCYP3A4NR1I2AKR1C3HSD11B1 | |
| SCHEMBL3031674 | 0.80 | CACNA1B (0.76) | CACNA1BCYP3A4NR1I2HSD11B1SCN9A | |
| SCHEMBL3035644 | 0.80 | CACNA1B (0.82) | CACNA1BCYP3A4NR1I2AKR1C3HSD11B1 | |
| SCHEMBL3035386 | 0.80 | HSD11B1 (0.57) | CACNA1BCYP3A4NR1I2HSD11B1MGLL | |
| SCHEMBL3032252 | 0.80 | CACNA1B (0.54) | CACNA1BCYP3A4NR1I2AKR1C3HSD11B1 | |
| SCHEMBL3038099 | 0.80 | CACNA1B (0.61) | CACNA1BCYP3A4NR1I2AKR1C3HSD11B1 | |
| SCHEMBL3025452 | 0.80 | CACNA1B (0.70) | CACNA1BCYP3A4NR1I2 |
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-2009045382-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | disclosed |