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 | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 12/20 | 0.60 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.31 |
| ▸ | WNT3A | P56704 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6226020 | 0.86 | CNR1 (0.64) | CNR1SRD5A1SRD5A2ALDH1A1 | |
| SCHEMBL4481860 | 0.85 | CNR1 (0.62) | CNR1SRD5A1SRD5A2ALDH1A1 | |
| SCHEMBL29987973 | 0.81 | CNR1 (0.58) | CNR1ALDH1A1KDM4EHPGD | |
| Lithium Ion SCHEMBL9040989 | 0.79 | CNR1 (0.59) | CNR1SRD5A1SRD5A2CTNNB1WNT3A | |
| SCHEMBL4474601 | 0.76 | CNR1 (0.80) | CNR1 | |
| SCHEMBL4457039 | 0.74 | CNR1 (0.47) | CNR1SRD5A1SRD5A2ALDH1A1NPSR1 | |
| SCHEMBL9057646 | 0.72 | CNR1 (0.50) | CNR1SRD5A1SRD5A2ALDH1A1KDM4E | |
| SCHEMBL4464885 | 0.71 | CNR1 (0.64) | CNR1SRD5A1SRD5A2ALDH1A1 | |
| SCHEMBL8728950 | 0.70 | CNR1 (0.63) | CNR1SRD5A1SRD5A2ALDH1A1CTNNB1 | |
| SCHEMBL30257325 | 0.70 | CNR1 (0.63) | CNR1SRD5A1SRD5A2ALDH1A1CTNNB1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7576088-B2 | Benzodioxole derivatives | HOFFMAN-LA ROCHE INC. (US) | 2009-08-18 | — | — | US | disclosed |
| EP-1532132-B1 | NOVEL BENZODIOXOLES | HOFFMANN LA ROCHE (CH) | 2008-03-19 | — | — | EP | disclosed |
| US-20050143373-A1 | Benzodioxole derivatives | ALANINE ALEXANDER (FR) | 2005-06-30 | — | — | US | disclosed |
| US-6900227-B2 | Benzodioxole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2005-05-31 | — | — | US | disclosed |
| EP-1532132-A1 | NOVEL BENZODIOXOLES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-05-25 | — | — | EP | disclosed |
| US-20040142922-A1 | Benzodioxole derivatives | HOFFMANN-LA ROCHE INC. | 2004-07-22 | — | — | US | disclosed |
| WO-2004013120-A1 | NOVEL BENZODIOXOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-02-12 | — | — | WO | 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 (2 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-20050143373-A1 | Benzodioxole derivatives | CNR2, CNR1, GPR119 | CNR1 2/4885SRD5A1 441/4885SRD5A2 391/4885 |
| US-20040142922-A1 | Benzodioxole derivatives | CNR1, CNR2, GPR119 | CNR1 1/4885SRD5A1 184/4885SRD5A2 290/4885 |
“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.