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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 10/20 | 0.42 |
| ▸ | CTSL | P07711 | 7/20 | 0.42 |
| ▸ | CTSB | P07858 | 4/20 | 0.42 |
| ▸ | CTSK | P43235 | 4/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 7/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 6/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2102652 | 0.89 | NR1H2 (0.47) | CTSSCTSLCTSBCTSKNR1H2 | |
| SCHEMBL701185 | 0.83 | CTSS (0.63) | CTSSCTSLCTSB | |
| Lithium Ion SCHEMBL2104260 | 0.83 | CTSS (0.43) | CTSSCTSLCTSBCTSKGPR119 | |
| Lithium Ion SCHEMBL2105202 | 0.79 | CTSS (0.53) | CTSSCTSLCTSBCTSK | |
| SCHEMBL3065886 | 0.78 | CTSS (0.46) | CTSSCTSLCTSBCTSKHSD11B1 | |
| SCHEMBL700206 | 0.78 | CTSS (0.45) | CTSSCTSLCTSBCTSKHSD11B1 | |
| SCHEMBL15183967 | 0.75 | CTSS (0.51) | CTSSCTSLCTSBCTSK | |
| SCHEMBL695616 | 0.75 | CTSS (0.59) | CTSSCTSLCTSB | |
| SCHEMBL15170383 | 0.74 | CTSL (0.46) | CTSSCTSLCTSBCTSK | |
| SCHEMBL703466 | 0.74 | CTSS (0.53) | CTSSCTSLCTSBCTSKNR1H2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421826-B1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | HOFFMANN LA ROCHE (CH) | 2013-10-23 | — | — | EP | disclosed |
| US-8163793-B2 | Proline derivatives | HOFFMAN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-20100267722-A1 | NOVEL PROLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-21 | — | — | 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-20100267722-A1 | NOVEL PROLINE DERIVATIVES | PRAP1, PRR12, SLC6A7 | CTSS 1542/4885CTSL 178/4885CTSB 962/4885 |
“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.