Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP4 | P49662 | 2/20 | 0.38 |
| ▸ | CASP5 | P51878 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | CKS1B | P61024 | 1/20 | 0.38 |
| ▸ | SKP1 | P63208 | 1/20 | 0.38 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.38 |
| ▸ | GLP1R | P43220 | 3/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16013812 | 0.86 | CHRM4 (0.39) | PARP1 | |
| SCHEMBL17456777 | 0.81 | PRKD1 (0.41) | CASP1CASP4CASP5CYP3A4CYP2D6 | |
| SCHEMBL3967589 | 0.80 | SCD (0.51) | KDM2B | |
| SCHEMBL16013670 | 0.80 | HRH3 (0.46) | NPSR1CYP2D6CYP2C9CYP2C19KDM2B | |
| SCHEMBL16012907 | 0.79 | CASP1 (0.43) | SCN9ANPSR1CASP1CASP4CASP5 | |
| SCHEMBL3878368 | 0.78 | CTSK (0.49) | SCN9ACASP1CASP4CASP5CYP3A4 | |
| SCHEMBL1742259 | 0.76 | SCD (0.49) | — | |
| SCHEMBL6927463 | 0.74 | KDM4E (0.40) | SCN9ACYP2D6RPS6KB1AKT1 | |
| SCHEMBL8241648 | 0.70 | CTSK (0.56) | NPSR1 | |
| SCHEMBL3726434 | 0.69 | HRH4 (0.45) | SCN9ACASP1CASP4CASP5CYP2D6 |
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-2964615-A1 | NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS | Ario Pharma Limited (GB) | 2016-01-13 | — | — | EP | disclosed |
| WO-2014135617-A1 | NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS | PHARMESTE S.R.L. IN LIQUIDATION (IT) | 2014-09-12 | — | — | WO | disclosed |