Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.44 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN4A | P35499 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1768229 | 0.82 | CYP2D6 (0.55) | CYP2D6CYP1A2SCN8ACYP3A4GAA | |
| SCHEMBL1768484 | 0.82 | CYP2D6 (0.47) | CYP2D6CYP1A2SCN8ACYP3A4SCN1A | |
| SCHEMBL13583832 | 0.80 | CYP2D6 (0.66) | CYP2D6CYP1A2SCN8ACYP3A4GAA | |
| SCHEMBL1768219 | 0.79 | SCN8A (0.60) | CYP2D6CYP1A2SCN8ACYP3A4SCN1A | |
| SCHEMBL1768480 | 0.78 | CYP2D6 (0.42) | CYP2D6CYP1A2SCN8ACYP3A4GAA | |
| SCHEMBL12649291 | 0.76 | CYP2D6 (0.48) | CYP2D6CYP1A2SCN8ACYP3A4GAA | |
| SCHEMBL12649289 | 0.75 | CYP2D6 (0.71) | CYP2D6CYP1A2SCN8ACYP3A4SCN1A | |
| SCHEMBL11896943 | 0.74 | SCN8A (0.64) | CYP2D6CYP1A2SCN8ACYP3A4SCN1A | |
| SCHEMBL12468734 | 0.69 | AURKA (0.44) | GAASCN9AAURKAAURKBALDH1A1 | |
| SCHEMBL11896945 | 0.68 | CYP1A2 (0.45) | CYP2D6CYP1A2SCN8AALDH1A1TSHR |
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-2483270-A1 | INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS | University College London (GB) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011061469-A1 | INDAZOLE DERIVATIVES AND THEIR USE FOR BLOCKADING VOLTAGE DEPENDENT SODIUM CHANNELS | UNIVERSITY COLLEGE LONDON (GB) | 2011-05-26 | — | — | WO | disclosed |