Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 19/20 | 0.80 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1289852 | 0.89 | SCN9A (1.00) | SCN9AKDM4EALDH1A1GLAGAA | |
| SCHEMBL1289789 | 0.82 | SCN9A (0.81) | SCN9A | |
| SCHEMBL1289768 | 0.81 | SCN9A (1.00) | SCN9A | |
| SCHEMBL1289695 | 0.80 | SCN9A (1.00) | SCN9A | |
| SCHEMBL27906842 | 0.80 | SCN9A (0.79) | SCN9AKDM4EALDH1A1GLAGAA | |
| SCHEMBL1289735 | 0.78 | SCN9A (1.00) | SCN9AKDM4EALDH1A1GLAGAA | |
| SCHEMBL1289766 | 0.78 | SCN9A (1.00) | SCN9AKDM4EALDH1A1GLAGAA | |
| SCHEMBL1289734 | 0.78 | SCN9A (1.00) | SCN9AKDM4EALDH1A1GLAGAA | |
| SCHEMBL1289837 | 0.78 | SCN9A (1.00) | SCN9AKDM4EALDH1A1GLAGAA | |
| SCHEMBL1289795 | 0.77 | SCN9A (0.71) | SCN9AKDM4EALDH1A1GAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2625169-A1 | QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS | Purdue Pharma L.P. (US) | 2013-08-14 | — | — | EP | claimed |
| WO-2012046132-A1 | QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA L.P. (US) | 2012-04-12 | — | — | WO | claimed |
| EP-2625169-A1 | QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS | Purdue Pharma L.P. (US) | 2013-08-14 | — | — | EP | disclosed |
| WO-2012046132-A1 | QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA L.P. (US) | 2012-04-12 | — | — | WO | disclosed |