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 | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11288839 | 0.71 | CYP1A2 (0.68) | IDO1ACHETDP1CYP2A6CYP1A2 | |
| SCHEMBL143961 | 0.71 | CYP1A2 (0.68) | IDO1ACHETDP1CYP2A6CYP1A2 | |
| SCHEMBL1149394 | 0.71 | IDO1 (0.58) | IDO1ACHETDP1CYP2A6CYP1A2 | |
| SCHEMBL11410252 | 0.71 | IDO1 (0.58) | IDO1ACHETDP1CYP2A6CYP1A2 | |
| Lithium Ion SCHEMBL937156 | 0.71 | IDO1 (0.50) | IDO1ACHETDP1CYP2A6CYP1A2 | |
| Lithium Ion SCHEMBL7741416 | 0.71 | IDO1 (0.50) | IDO1TAAR1AGXTCHRM2LMNA | |
| Lithium Ion SCHEMBL7742851 | 0.71 | CYP2A6 (0.47) | IDO1CYP2A6TAAR1ALDH1A1 | |
| P-Xylene SCHEMBL29286861 | 0.69 | ACHE (0.80) | IDO1ACHETDP1CYP2A6CYP1A2 | |
| SCHEMBL5497395 | 0.69 | IDO1 (0.55) | IDO1ACHETDP1CYP2A6CYP1A2 | |
| SCHEMBL5188672 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6413677-B1 | THIOCARBONATE ELECTROLYTE | UBE INDUSTRIES, LTD. (JP) | 2002-07-02 | — | — | US | disclosed |