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 | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL30476807 | 0.86 | NPY5R (0.43) | NPY5RMAOBALDH1A1CYP3A4POLB | |
| SCHEMBL29166073 | 0.86 | NPY5R (0.45) | NPY5RMAOBALDH1A1CYP3A4MAPK1 | |
| SCHEMBL29166040 | 0.86 | NPY5R (0.45) | NPY5RMAOBALDH1A1CYP3A4MAPK1 | |
| SCHEMBL3369606 | 0.76 | NPY5R (0.42) | NPY5RMAOBALDH1A1CYP3A4POLB | |
| Lithium Ion SCHEMBL31299007 | 0.72 | ABCB1 (0.54) | ALDH1A1POLBMAPK1HTTMAPT | |
| Lithium Ion SCHEMBL30679693 | 0.72 | ABCB1 (0.54) | ALDH1A1POLBMAPK1HTTMAPT | |
| SCHEMBL23303478 | 0.72 | MAPK1 (0.48) | NPY5RALDH1A1MAPK1HTTMAPT | |
| SCHEMBL23303475 | 0.72 | MAPK1 (0.48) | NPY5RALDH1A1MAPK1HTTMAPT | |
| SCHEMBL25173100 | 0.71 | NPY5R (0.40) | NPY5RMAOBALDH1A1CYP3A4MMP13 | |
| SCHEMBL30476772 | 0.70 | KMT2A (0.45) | ALDH1A1CYP3A4HTTLMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4164690-A1 | SMALL MOLECULE VE-PTP INHIBITORS | Ripka, Amy (US) | 2023-04-19 | — | — | EP | disclosed |