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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 8/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21098434 | 0.85 | NR1H2 (0.48) | NR1H2GPR119USP2SMN1; SMN2NAMPT | |
| SCHEMBL21640381 | 0.83 | NR1H2 (0.51) | NR1H2GPR119USP2SMN1; SMN2NAMPT | |
| SCHEMBL16415500 | 0.80 | NR1H2 (0.43) | NR1H2GPR119USP2SMN1; SMN2NAMPT | |
| Lithium Ion SCHEMBL21063823 | 0.79 | NR1H2 (0.43) | NR1H2GPR119PTPN2PTPN1PTPN6 | |
| SCHEMBL16415001 | 0.79 | NR1H2 (0.51) | NR1H2GPR119USP2SMN1; SMN2NAMPT | |
| SCHEMBL626244 | 0.76 | NR1H2 (0.50) | NR1H2GPR119USP2SMN1; SMN2NAMPT | |
| SCHEMBL4183086 | 0.76 | NR1H2 (0.50) | NR1H2GPR119USP2SMN1; SMN2NAMPT | |
| Lithium Ion SCHEMBL21063466 | 0.76 | NR1H2 (0.48) | NR1H2GPR119USP2SMN1; SMN2PTPN2 | |
| Hydrochloric Acid SCHEMBL28063086 | 0.74 | NR1H2 (0.49) | NR1H2GPR119USP2SMN1; SMN2NAMPT | |
| SCHEMBL20599655 | 0.74 | NR1H2 (0.49) | NR1H2GPR119USP2SMN1; SMN2NAMPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019118612-A1 | TARGETING COMPOUNDS | ZAFGEN, INC. (US) | 2019-06-20 | — | — | WO | disclosed |