Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 20/20 | 0.74 |
| ▸ | SCN10A | Q9Y5Y9 | 3/20 | 0.71 |
| ▸ | SCN7A | Q01118 | 3/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.70 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL16967163 | 0.98 | SCN9A (0.77) | SCN9ASCN10ASCN7AKCNH2SCN5A | |
| SCHEMBL16992691 | 0.97 | SCN9A (0.75) | SCN9ASCN10ASCN7AKCNH2SCN5A | |
| SCHEMBL16966898 | 0.88 | SCN9A (0.75) | SCN9ASCN10ASCN7AKCNH2SCN5A | |
| SCHEMBL16967070 | 0.86 | SCN9A (0.79) | SCN9ASCN10A | |
| SCHEMBL16966644 | 0.85 | SCN9A (1.00) | SCN9ASCN10ASCN7AKCNH2SCN5A | |
| SCHEMBL16966910 | 0.83 | SCN9A (1.00) | SCN9ASCN10A | |
| SCHEMBL16967027 | 0.83 | SCN9A (1.00) | SCN9ASCN10ASCN7AKCNH2SCN5A | |
| SCHEMBL16966696 | 0.82 | SCN9A (1.00) | SCN9ASCN10ASCN7AKCNH2SCN5A | |
| SCHEMBL16966722 | 0.82 | SCN9A (1.00) | SCN9ASCN10ASCN7AKCNH2SCN5A | |
| SCHEMBL16967073 | 0.82 | SCN9A (1.00) | SCN9ASCN10ASCN7AKCNH2SCN5A |
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-3102569-A1 | 6-HETEROARYLOXY- AND 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND USES THEREOF | AbbVie Inc. (US) | 2016-12-14 | — | — | EP | disclosed |
| WO-2015119998-A1 | 6-HETEROARYLOXY- AND 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND USES THEREOF | ABBVIE, INC. (US) | 2015-08-13 | — | — | WO | disclosed |