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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30971243 | 0.97 | CES2 (0.42) | CES2CES1ACHENFE2L2ALDH1A1 | |
| Lithium Ion SCHEMBL912832 | 0.82 | ACHE (0.39) | CES2CES1ACHENFE2L2ALDH1A1 | |
| Lithium Ion SCHEMBL29567735 | 0.82 | ACHE (0.39) | CES2CES1ACHENFE2L2ALDH1A1 | |
| SCHEMBL123954 | 0.79 | ACHE (0.41) | CES2CES1ACHENFE2L2ALDH1A1 | |
| SCHEMBL29830966 | 0.77 | ACHE (0.39) | CES2CES1ACHENFE2L2ALDH1A1 | |
| SCHEMBL1450796 | 0.77 | ACHE (0.39) | CES2CES1ACHENFE2L2ALDH1A1 | |
| Silver SCHEMBL1450856 | 0.77 | ACHE (0.39) | CES2CES1ACHENFE2L2ALDH1A1 | |
| SCHEMBL1452107 | 0.77 | ACHE (0.39) | CES2CES1ACHENFE2L2ALDH1A1 | |
| Bromide SCHEMBL7211403 | 0.74 | ACHE (0.38) | CES2CES1ACHENFE2L2ALDH1A1 | |
| Bromide SCHEMBL7211405 | 0.74 | ACHE (0.38) | CES2CES1ACHENFE2L2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011031401-A2 | LITHIUM NON-FLUORINATED AND FLUORINATED PHENYL TRIFLUORO BORATE SALTS FOR NON-AQUEOUS BATTERY ELECTROLYTES | BROOKHAVEN SCIENCE ASSOCIATES LLC (US) | 2011-03-17 | — | — | WO | claimed |
| WO-2011031401-A2 | LITHIUM NON-FLUORINATED AND FLUORINATED PHENYL TRIFLUORO BORATE SALTS FOR NON-AQUEOUS BATTERY ELECTROLYTES | BROOKHAVEN SCIENCE ASSOCIATES LLC (US) | 2011-03-17 | — | — | WO | disclosed |