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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29879558 | 0.97 | HSD11B1 (0.42) | HSD11B1HCAR3HCAR2CCR2ALDH1A1 | |
| SCHEMBL29302947 | 0.97 | HSD11B1 (0.42) | HSD11B1HCAR3HCAR2CCR2ALDH1A1 | |
| SCHEMBL8216816 | 0.79 | SLC6A3 (0.45) | CCR2SLC6A2SLC6A4SLC6A3FFAR1 | |
| SCHEMBL8208270 | 0.79 | SLC6A3 (0.45) | CCR2SLC6A2SLC6A4SLC6A3FFAR1 | |
| SCHEMBL14255658 | 0.79 | SLC6A3 (0.45) | CCR2SLC6A2SLC6A4SLC6A3FFAR1 | |
| SCHEMBL29302948 | 0.79 | KDM4E (0.40) | HSD11B1ALDH1A1SMN1; SMN2HTTMEN1 | |
| SCHEMBL29879837 | 0.79 | KDM4E (0.40) | HSD11B1ALDH1A1SMN1; SMN2HTTMEN1 | |
| Bicarbonate SCHEMBL29136788 | 0.75 | KDM4E (0.38) | HSD11B1ALDH1A1SMN1; SMN2HTTMEN1 | |
| SCHEMBL29305488 | 0.74 | REN (0.36) | HSD11B1HCAR3HCAR2ALDH1A1HTR2C | |
| SCHEMBL24737866 | 0.74 | USP30 (0.41) | GRIN2B |
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 |
|---|---|---|---|---|---|---|---|
| CN-117355521-A | Heteroaryl inhibitors of plasma kallikrein | 武田药品工业株式会社 | 2024-01-05 | — | — | CN | disclosed |