Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 11/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.55 |
| ▸ | CACNA1B | Q00975 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3029635 | 0.90 | CYP2D6 (0.56) | CYP2D6KCNH2CACNA1B | |
| SCHEMBL3032007 | 0.90 | CYP2D6 (0.62) | CYP2D6KCNH2CACNA1B | |
| SCHEMBL3633696 | 0.85 | CYP2D6 (0.47) | CYP2D6KCNH2CACNA1B | |
| SCHEMBL3031422 | 0.77 | CYP2D6 (0.59) | CYP2D6KCNH2CACNA1B | |
| Hydrochloric Acid SCHEMBL3034444 | 0.76 | KCNH2 (0.66) | CYP2D6KCNH2CACNA1B | |
| SCHEMBL3031329 | 0.76 | CYP2D6 (0.67) | CYP2D6KCNH2CACNA1B | |
| SCHEMBL27800140 | 0.76 | CYP2D6 (0.63) | CYP2D6KCNH2CACNA1B | |
| SCHEMBL3032728 | 0.75 | CYP2D6 (0.59) | CYP2D6KCNH2CACNA1B | |
| Hydrochloric Acid SCHEMBL3023279 | 0.75 | KCNH2 (0.67) | CYP2D6KCNH2CACNA1B | |
| SCHEMBL3033206 | 0.75 | CYP2D6 (0.65) | CYP2D6KCNH2 |
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-2155663-A1 | SUBSTITUTED 2- Ý2- (PHENYL) ETHYLAMINO¨ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS | Newron Pharmaceuticals S.p.A. (IT) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008151702-A1 | SUBSTITUTED 2- [2- (PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS | NEWRON PHARMACEUTICALS S.P.A. (IT) | 2008-12-18 | — | — | WO | disclosed |