Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 12/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 3/20 | 0.41 |
| ▸ | ELOVL6 | Q9H5J4 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10476090 | 0.85 | ELOVL6 (0.46) | HTR6CACNA1BNR1I2CYP3A4POLB | |
| SCHEMBL12688377 | 0.80 | RORC (0.47) | RORC | |
| SCHEMBL1498297 | 0.80 | RORC (0.47) | RORC | |
| SCHEMBL12688439 | 0.80 | RORC (0.47) | RORC | |
| SCHEMBL1498436 | 0.79 | STS (0.58) | CACNA1BNR1I2CYP3A4 | |
| SCHEMBL1498296 | 0.79 | ELOVL6 (0.44) | CACNA1BNR1I2CYP3A4POLBELOVL6 | |
| SCHEMBL12692955 | 0.78 | RORC (0.53) | RORC | |
| SCHEMBL1498414 | 0.78 | POLB (0.43) | HTR6POLBRAB9A | |
| SCHEMBL12543113 | 0.77 | GAA (0.43) | CACNA1BNR1I2CYP3A4POLBRAB9A | |
| SCHEMBL1498584 | 0.76 | CA1 (0.51) | POLBELOVL6CA1CA2MMP1 |
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 |