Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | TYK2 | P29597 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 8/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL1498439 | 1.00 | CACNA1B (0.49) | CACNA1BPOLBCYP3A4CYP2C19JAK2 | |
| SCHEMBL1498596 | 0.90 | JAK2 (0.51) | CACNA1BPOLBCYP3A4CYP2C19JAK2 | |
| SCHEMBL1498597 | 0.90 | JAK2 (0.51) | CACNA1BPOLBCYP3A4CYP2C19JAK2 | |
| SCHEMBL1498296 | 0.83 | ELOVL6 (0.44) | CACNA1BPOLBCYP3A4NPSR1NR1I2 | |
| SCHEMBL12542382 | 0.80 | CCR2 (0.47) | CACNA1BCYP3A4CYP2C19JAK2TYK2 | |
| SCHEMBL12692995 | 0.80 | CCR2 (0.47) | CACNA1BCYP3A4CYP2C19JAK2TYK2 | |
| SCHEMBL12542386 | 0.80 | CCR2 (0.47) | CACNA1BCYP3A4CYP2C19JAK2TYK2 | |
| SCHEMBL10476054 | 0.80 | CCR2 (0.52) | CACNA1BPOLBCCR2NPSR1 | |
| SCHEMBL10476062 | 0.80 | CCR2 (0.52) | CACNA1BPOLBCCR2NPSR1 | |
| SCHEMBL10476055 | 0.80 | CCR2 (0.52) | CACNA1BPOLBCCR2NPSR1 |
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 |