Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 6/20 | 0.49 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3206362 | 0.85 | ALDH1A1 (0.46) | PDE2AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL16695369 | 0.80 | PDE2A (0.51) | PDE2AALDH1A1GAA | |
| SCHEMBL19371257 | 0.80 | ALOX5AP (0.37) | PDE2AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL3834152 | 0.80 | MAPT (0.45) | KDM4EALDH1A1HPGDGAARXFP1 | |
| SCHEMBL18172056 | 0.79 | S1PR3 (0.43) | — | |
| SCHEMBL2926444 | 0.79 | PSEN1 (0.36) | GAA | |
| SCHEMBL20596688 | 0.79 | EPHX1 (0.34) | PDE2AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL7478651 | 0.78 | PDE2A (0.58) | PDE2AKIF11KDM4EALDH1A1HPGD | |
| SCHEMBL7477905 | 0.77 | PDE2A (0.53) | PDE2AKIF11KDM4EALDH1A1HPGD | |
| SCHEMBL20474139 | 0.77 | PDE2A (0.61) | PDE2AKIF11EPHX1GAA |
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-3286178-A1 | AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS | Almirall S.A. (ES) | 2018-02-28 | — | — | EP | disclosed |
| WO-2016170009-A1 | AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS | ALMIRALL, S.A. (ES) | 2016-10-27 | — | — | WO | disclosed |