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 | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 6/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 8/20 | 0.37 |
| ▸ | HTR3A | P46098 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 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 | |
|---|---|---|---|---|
| SCHEMBL1005348 | 0.91 | P2RX7 (0.40) | P2RX7PARP1PARP2HTR6DPP4 | |
| SCHEMBL1008338 | 0.88 | TOP2A (0.42) | P2RX7PARP1PARP2DPP4HTR3A | |
| SCHEMBL1005325 | 0.79 | HTR3A (0.67) | HTR3AKCNH2 | |
| Hydrochloric Acid SCHEMBL1004959 | 0.79 | HTR3A (0.66) | HTR3AKCNH2 | |
| Lithium Ion SCHEMBL1005845 | 0.76 | HTR3A (0.40) | P2RX7HTR6HTR3AKCNH2 | |
| SCHEMBL8221829 | 0.75 | HTR3A (0.52) | HTR3AKCNH2 | |
| Lithium Ion SCHEMBL1005141 | 0.72 | HTR3A (0.43) | PARP1HTR6HTR3AKCNH2 | |
| Lithium Ion SCHEMBL1005139 | 0.69 | HTR3A (0.45) | HTR6HTR3AKCNH2 | |
| SCHEMBL1004884 | 0.68 | HTR6 (0.50) | HTR6HTR3AKCNH2 | |
| Lithium Ion SCHEMBL1005042 | 0.68 | HTR3A (0.46) | HTR6HTR3AKCNH2 |
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 | P2RX7 363/4885PARP1 1738/4885PARP2 545/4885 |
“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.