Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 10/20 | 0.92 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.64 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.63 |
| ▸ | CNR1 | P21554 | 1/20 | 0.52 |
| ▸ | CNR2 | P34972 | 1/20 | 0.52 |
| ▸ | PPARG | P37231 | 1/20 | 0.51 |
| ▸ | PPARA | Q07869 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3023783 | 1.00 | CYP2D6 (0.92) | CYP2D6KCNH2CACNA1BCNR1CNR2 | |
| SCHEMBL3022692 | 0.99 | CYP2D6 (0.94) | CYP2D6KCNH2CACNA1BCNR1CNR2 | |
| SCHEMBL3025525 | 0.96 | CYP2D6 (1.00) | CYP2D6KCNH2CACNA1B | |
| Hydrochloric Acid SCHEMBL19638618 | 0.95 | CYP2D6 (0.98) | CYP2D6KCNH2CACNA1B | |
| SCHEMBL17965034 | 0.95 | CYP2D6 (1.00) | CYP2D6KCNH2CACNA1B | |
| SCHEMBL17964921 | 0.84 | CYP2D6 (1.00) | CYP2D6KCNH2CACNA1B | |
| SCHEMBL3637531 | 0.84 | CYP2D6 (0.74) | CYP2D6KCNH2CNR1CNR2PPARG | |
| SCHEMBL3022619 | 0.84 | CYP2D6 (0.74) | CYP2D6KCNH2CNR1CNR2PPARG | |
| SCHEMBL3030045 | 0.82 | CYP2D6 (0.76) | CYP2D6KCNH2CNR1CNR2PPARG | |
| SCHEMBL3031673 | 0.82 | CYP2D6 (0.73) | CYP2D6KCNH2CNR1CNR2PPARG |
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 |