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 | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 9/20 | 0.56 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Lithium SCHEMBL9893840 | 0.90 | MDM2 (0.68) | MDM2PDE4BPDE4DCNR2TP53 | |
| SCHEMBL9893838 | 0.90 | MDM2 (0.68) | MDM2PDE4BPDE4DCNR2TP53 | |
| SCHEMBL9893915 | 0.90 | MDM2 (0.62) | MDM2PDE4BPDE4DCNR2TP53 | |
| Lithium Ion SCHEMBL9894072 | 0.88 | MDM2 (0.61) | MDM2PDE4BPDE4DCNR2 | |
| Acetamide SCHEMBL27862825 | 0.87 | MDM2 (0.64) | MDM2PDE4BPDE4DCNR2TP53 | |
| SCHEMBL1437051 | 0.86 | MDM2 (0.56) | MDM2PDE4BPDE4DALDH1A1 | |
| SCHEMBL9894130 | 0.85 | MDM2 (0.55) | MDM2PDE4BPDE4DCNR2TP53 | |
| SCHEMBL1440032 | 0.80 | MDM2 (0.62) | MDM2PDE4BPDE4DTP53MAPT | |
| SCHEMBL9894039 | 0.80 | MDM2 (0.62) | MDM2PDE4BPDE4DTP53MAPT | |
| SCHEMBL28799416 | 0.79 | MDM2 (0.49) | MDM2PDE4BPDE4DCNR2TP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120149661-A1 | TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS | NOVARTIS AG (CH) | 2012-06-14 | — | — | 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 (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-20120149661-A1 | TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS | MDM4, MDM2, TP53 | MDM2 2/4885PDE4B 3755/4885PDE4D 3804/4885 |
“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.