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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1930001 | 0.87 | ALDH1A1 (0.48) | NPSR1ALDH1A1HTTPTGESTP53 | |
| SCHEMBL1930172 | 0.84 | NPSR1 (0.43) | NPSR1ALDH1A1HTTPTGESTP53 | |
| SCHEMBL14735948 | 0.82 | PTGES (0.42) | NPSR1ALDH1A1HTTPTGESTP53 | |
| SCHEMBL903084 | 0.76 | GAA (0.50) | NPSR1ALDH1A1HTTPTGESTP53 | |
| SCHEMBL903085 | 0.72 | NPSR1 (0.37) | NPSR1ALDH1A1HTTPTGESGAA | |
| SCHEMBL31712028 | 0.71 | NPSR1 (0.42) | NPSR1ALDH1A1HTTPTGESTP53 | |
| SCHEMBL31667226 | 0.70 | ALDH1A1 (0.40) | NPSR1ALDH1A1HTTGAAMEN1 | |
| SCHEMBL9915126 | 0.70 | HTT (0.47) | NPSR1ALDH1A1HTTPTGESTP53 | |
| SCHEMBL24175273 | 0.70 | NPSR1 (0.41) | NPSR1ALDH1A1HTTPTGESTP53 | |
| SCHEMBL1412421 | 0.69 | GAA (0.41) | NPSR1ALDH1A1HTTPTGESTP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2753604-B1 | PDE10 MODULATORS | HOFFMANN LA ROCHE (CH) | 2015-08-19 | — | — | EP | disclosed |
| US-8772510-B2 | PDE10 modulators | HOFFMANN-LA ROCHE INC. (US) | 2014-07-08 | — | — | US | disclosed |
| WO-2013034506-A1 | PDE10 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-14 | — | — | WO | disclosed |
| US-20130059833-A1 | PDE10 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130059833-A1 | PDE10 MODULATORS | PDE10A, PDE5A, PDE2A | NPSR1 321/4885ALDH1A1 775/4885HTT 3082/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.