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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PREP | P48147 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PTPN6 | P29350 | 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 | |
|---|---|---|---|---|
| SCHEMBL12486738 | 0.84 | HRH3 (0.39) | CHRM2CHRM1CHRM3HPGDUSP2 | |
| SCHEMBL14913989 | 0.84 | HSD17B10 (0.43) | CHRM2CHRM1CHRM3HPGDUSP2 | |
| SCHEMBL825043 | 0.84 | HSD17B10 (0.43) | CHRM2CHRM1CHRM3HPGDUSP2 | |
| SCHEMBL1314909 | 0.83 | HSD17B10 (0.42) | CHRM2CHRM1CHRM3HPGDUSP2 | |
| SCHEMBL825072 | 0.81 | PTPN1 (0.39) | CHRM2CHRM1CHRM3HPGDUSP2 | |
| SCHEMBL825073 | 0.71 | NPC1 (0.41) | GPR119PTPN2PTPN1PTPN6 | |
| Lithium Ion SCHEMBL1536049 | 0.71 | MMP1 (0.42) | HPGDUSP2SMN1; SMN2GPR119MAPT | |
| SCHEMBL8747753 | 0.70 | HSD17B10 (0.58) | SMN1; SMN2HSD17B10 | |
| Lithium Ion SCHEMBL1316003 | 0.69 | CHRM2 (0.37) | CHRM2CHRM1CHRM3HPGDUSP2 | |
| SCHEMBL12487966 | 0.66 | HSD17B10 (0.38) | CHRM2CHRM1CHRM3HPGDUSP2 |
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-20110274648-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2011-11-10 | — | — | US | disclosed |
| WO-2011059887-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | 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-20110274648-A1 | Hepatitis C Virus Inhibitors | HAVCR2, PYGL, HCCS | CHRM2 4697/4885CHRM1 4713/4885CHRM3 3883/4885 |
“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.