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 | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NCK1 | P16333 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | F2R | P25116 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL3120221 | 0.96 | CYP2A6 (0.56) | CYP2A6CYP1A2TDP1ALDH1A1NCK1 | |
| SCHEMBL3107236 | 0.96 | CYP2A6 (0.56) | CYP2A6CYP1A2TDP1ALDH1A1NCK1 | |
| SCHEMBL29786773 | 0.77 | CYP1A2 (0.64) | CYP2A6CYP1A2TDP1ALDH1A1NCK1 | |
| Lithium Ion SCHEMBL3115424 | 0.77 | CYP1A2 (0.58) | CYP2A6CYP1A2CA9HTR2AHTR2C | |
| SCHEMBL599076 | 0.77 | CYP1A2 (0.64) | CYP2A6CYP1A2TDP1ALDH1A1NCK1 | |
| Lithium Ion SCHEMBL937156 | 0.76 | IDO1 (0.50) | CYP2A6CYP1A2TDP1ALDH1A1LMNA | |
| SCHEMBL6232099 | 0.76 | CYP2A6 (0.59) | CYP2A6CYP1A2TDP1ALDH1A1NCK1 | |
| SCHEMBL3565973 | 0.76 | CYP1A2 (0.59) | CYP2A6CYP1A2TDP1ALDH1A1NCK1 | |
| SCHEMBL14527632 | 0.76 | CYP1A2 (0.59) | CYP2A6CYP1A2TDP1ALDH1A1NCK1 | |
| SCHEMBL3083839 | 0.76 | CYP2A6 (0.59) | CYP2A6CYP1A2TDP1ALDH1A1NCK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8344171-B2 | Process for making dihydrocarbyl hydrocarbonphosphonates | ALBEMARLE CORPORATION (US) | 2013-01-01 | — | — | US | disclosed |
| US-20100179342-A1 | PROCESS FOR MAKING DIHYDROCARBYL HYDROCARBONPHOSPHONATES | ALBEMARLE CORPORATION (US) | 2010-07-15 | — | — | US | disclosed |
| EP-2164853-A1 | PROCESS FOR MAKING DIHYDROCARBYL HYDROCARBONPHOSPHONATES | Albermarle Corporation (US) | 2010-03-24 | — | — | EP | disclosed |
| WO-2008154268-A1 | PROCESS FOR MAKING DIHYDROCARBYL HYDROCARBONPHOSPHONATES | ALBEMARLE CORPORATION (US) | 2008-12-18 | — | — | WO | disclosed |