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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | HTR3A | P46098 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | SPR | P35270 | 1/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.35 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL1005328 | 0.91 | PARP1 (0.38) | PARP1HTR3APOLBCYP11B2SPR | |
| SCHEMBL1005926 | 0.90 | TOP2A (0.39) | PARP1HTR3APOLBCYP11B2SPR | |
| Lithium Ion SCHEMBL1005161 | 0.88 | GPR119 (0.43) | PARP1HTR3APOLBCYP11B2SPR | |
| SCHEMBL1006831 | 0.81 | HTR3A (0.62) | HTR3AKCNH2 | |
| SCHEMBL1005163 | 0.79 | GPR119 (0.43) | PARP1HTR3APOLBCYP11B2SPR | |
| SCHEMBL1005912 | 0.78 | TOP2A (0.40) | PARP1HTR3APOLBCYP11B2KCNH2 | |
| Lithium Ion SCHEMBL1003674 | 0.76 | HTR3A (0.47) | PARP1HTR3AKCNH2GPR119 | |
| Lithium Ion SCHEMBL1003498 | 0.76 | HTR3A (0.47) | PARP1HTR3AKCNH2GPR119 | |
| Lithium Ion SCHEMBL1003673 | 0.76 | HTR3A (0.47) | PARP1HTR3AKCNH2GPR119 | |
| Lithium Ion SCHEMBL1005422 | 0.76 | HTR3A (0.47) | PARP1HTR3AKCNH2GPR119 |
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 | PARP1 1738/4885HTR3A 3/4885POLB 1879/4885 |
“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.