Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.38 |
| ▸ | REN | P00797 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3633694 | 0.85 | CYP2D6 (0.56) | CYP2D6KCNH2CACNA1B | |
| SCHEMBL3032007 | 0.74 | CYP2D6 (0.62) | CYP2D6KCNH2S1PR1THRATHRB | |
| SCHEMBL3029635 | 0.74 | CYP2D6 (0.56) | CYP2D6KCNH2CACNA1B | |
| SCHEMBL3637670 | 0.70 | CYP2D6 (0.74) | CYP2D6KCNH2CNR2CNR1CACNA1B | |
| SCHEMBL3635825 | 0.68 | CYP2D6 (0.70) | CYP2D6KCNH2CNR2CNR1 | |
| SCHEMBL3025600 | 0.67 | CYP2D6 (0.72) | CYP2D6KCNH2 | |
| SCHEMBL3021106 | 0.65 | CYP2D6 (1.00) | CYP2D6KCNH2 | |
| SCHEMBL3031010 | 0.65 | CYP2D6 (1.00) | CYP2D6KCNH2 | |
| SCHEMBL3031677 | 0.65 | CYP2D6 (1.00) | CYP2D6KCNH2 | |
| SCHEMBL3032004 | 0.64 | CYP2D6 (0.78) | 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 |