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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 4/20 | 0.55 |
| ▸ | CMKLR1 | Q99788 | 9/20 | 0.39 |
| ▸ | TOP2A | P11388 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1003561 | 0.86 | HTR3A (0.55) | HTR3ACMKLR1TOP2A | |
| SCHEMBL1004739 | 0.84 | HTR3A (0.56) | HTR3ATOP2A | |
| Lithium Ion SCHEMBL1004907 | 0.81 | HTR3A (0.46) | HTR3ACMKLR1TOP2APPARGPPARA | |
| Lithium Ion SCHEMBL1004513 | 0.80 | HTR3A (0.54) | HTR3ACMKLR1TOP2APPARGPPARD | |
| SCHEMBL1004353 | 0.73 | HTR3A (0.67) | HTR3A | |
| SCHEMBL1005419 | 0.73 | HTR3A (0.53) | HTR3ACMKLR1TOP2A | |
| Hydrochloric Acid SCHEMBL1004518 | 0.72 | HTR3A (0.66) | HTR3A | |
| SCHEMBL3991136 | 0.71 | HTR3A (0.52) | HTR3A | |
| SCHEMBL1006408 | 0.69 | TOP2A (0.55) | HTR3ATOP2A | |
| Hydrochloric Acid SCHEMBL1005853 | 0.68 | CMKLR1 (0.41) | HTR3ACMKLR1TOP2APPARG |
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 |
|---|---|---|---|---|---|---|---|
| US-7863271-B2 | 2-aminobenzoxazole carboxamides as 5HT3 modulators | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-01-04 | — | — | US | disclosed |
| EP-2061460-A2 | 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | Albany Molecular Research, Inc. (US) | 2009-05-27 | — | — | EP | disclosed |
| US-20080255114-A1 | 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | AMR TECHNOLOGY, INC. (US) | 2008-10-16 | — | — | US | disclosed |
| WO-2008019372-A2 | 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | ALBANY MOLECULAR RESEARCH, INC. (US) | 2008-02-14 | — | — | 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 (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 3/4885CMKLR1 1719/4885TOP2A 323/4885 |
“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.