Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL1498418 | 0.86 | CYP3A4 (0.48) | CYP3A4CACNA1BNR1I2CA1CA2 | |
| SCHEMBL1498417 | 0.86 | CYP3A4 (0.48) | CYP3A4CACNA1BNR1I2CA1CA2 | |
| Hydrochloric Acid SCHEMBL1498419 | 0.85 | CYP3A4 (0.47) | CYP3A4CACNA1BNR1I2CA1CA2 | |
| Hydrochloric Acid SCHEMBL1498531 | 0.85 | CYP3A4 (0.47) | CYP3A4CACNA1BNR1I2CA1CA2 | |
| Hydrochloric Acid SCHEMBL1498556 | 0.85 | CYP3A4 (0.47) | CYP3A4CACNA1BNR1I2CA1CA2 | |
| SCHEMBL12688485 | 0.84 | CACNA1B (0.52) | CYP3A4CACNA1BNR1I2CA1CA2 | |
| SCHEMBL3031602 | 0.84 | CYP3A4 (0.52) | CYP3A4CACNA1BNR1I2CA1CA2 | |
| SCHEMBL1498391 | 0.83 | CACNA1B (0.51) | CYP3A4CACNA1BNR1I2CA1CA2 | |
| SCHEMBL3045594 | 0.83 | CYP3A4 (0.53) | CYP3A4CACNA1BNR1I2CA1CA2 | |
| SCHEMBL1498392 | 0.83 | CACNA1B (0.51) | CYP3A4CACNA1BNR1I2CA1CA2 |
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-2477963-A1 | ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Zalicus Pharmaceuticals Ltd. (CA) | 2012-07-25 | — | — | EP | disclosed |
| WO-2011035159-A1 | ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | ZALICUS PHARMACEUTICALS LTD. (CA) | 2011-03-24 | — | — | WO | disclosed |