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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.39 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3423633 | 0.85 | PPARG (0.43) | PPARGNTRK1NTRK2NR1H2NR1H3 | |
| SCHEMBL3426153 | 0.81 | NR1H2 (0.42) | PPARGNTRK1NTRK2NR1H2NR1H3 | |
| SCHEMBL26375284 | 0.70 | CYP1A2 (0.47) | NR1H2NR1H3GRM2HSD11B1PDE10A | |
| Lithium Ion SCHEMBL3367542 | 0.69 | CHEK1 (0.44) | PTGES | |
| SCHEMBL21555501 | 0.69 | HSD11B1 (0.41) | NTRK1NTRK2GRM2HSD11B1PDE10A | |
| SCHEMBL15780474 | 0.68 | MAPT (0.37) | PPARGNR1H2NR1H3GRM2DRD3 | |
| SCHEMBL24910306 | 0.67 | NR1H2 (0.47) | NR1H2NR1H3GRM2DRD4HSD11B1 | |
| SCHEMBL900721 | 0.66 | HSD11B1 (0.54) | NR1H2NR1H3HSD11B1MAPTPDE10A | |
| SCHEMBL12362586 | 0.66 | PPARG (0.40) | PPARGHDAC6MAPT | |
| SCHEMBL1271724 | 0.63 | NR1H2 (0.54) | PPARGNR1H2NR1H3 |
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-7696205-B2 | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-04-13 | — | — | US | disclosed |
| US-20080108678-A1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY | 2008-05-08 | — | — | US | disclosed |
| US-7291615-B2 | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-06 | — | — | US | disclosed |
| US-20040235836-A1 | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY | 2004-11-25 | — | — | 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 (2 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-20040235836-A1 | Cyclic derivatives as modulators of chemokine receptor activity | CCL11, CCR1, CCL2 | PPARG 1236/4885NTRK1 3322/4885NTRK2 2270/4885 |
| US-20080108678-A1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | CCL11, CCL2, CCR1 | PPARG 1021/4885NTRK1 3128/4885NTRK2 2027/4885 |
“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.