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 | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 11/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL1005851 | 0.91 | HTR3A (0.50) | HTR3AKCNH2CYP2C19S1PR1S1PR5 | |
| SCHEMBL3990768 | 0.91 | HTR3A (0.50) | HTR3AKCNH2CYP2C19S1PR1S1PR5 | |
| SCHEMBL1006101 | 0.88 | HTR3A (0.50) | HTR3AKCNH2CYP2C19DRD4 | |
| Lithium Ion SCHEMBL1004930 | 0.85 | HTR3A (0.42) | HTR3AKCNH2CYP2C19 | |
| Lithium Ion SCHEMBL1004230 | 0.82 | HTR3A (0.61) | HTR3AKCNH2CYP2C19 | |
| Lithium Ion SCHEMBL1006763 | 0.82 | HTR3A (0.51) | HTR3AKCNH2CYP2C19 | |
| SCHEMBL1008485 | 0.80 | HTR3A (0.79) | HTR3AKCNH2CYP2C19 | |
| Lithium Ion SCHEMBL1005221 | 0.80 | HTR3A (0.47) | HTR3AKCNH2CYP2C19 | |
| Lithium Ion SCHEMBL1006319 | 0.79 | HTR3A (0.61) | HTR3AKCNH2CYP2C19 | |
| Hydrochloric Acid SCHEMBL1006433 | 0.79 | HTR3A (0.77) | HTR3AKCNH2CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7863271-B2 | 2-aminobenzoxazole carboxamides as 5HT3 modulators | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-01-04 | — | — | US | disclosed |
| US-20080255114-A1 | 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | AMR TECHNOLOGY, INC. (US) | 2008-10-16 | — | — | 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-20080255114-A1 | 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | HTR3E, HTR3C, HTR3A | HTR3A 3/4885KCNH2 1871/4885CYP2C19 169/4885 |
“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.