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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
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 Ion SCHEMBL3640204 | 0.92 | GAA (0.40) | HTR1AADRA1DADRA1AADRA1BHTT | |
| Lithium Ion SCHEMBL3343498 | 0.91 | REN (0.39) | HTR1AADRA1DADRA1AADRA1BLTB4R | |
| SCHEMBL8076505 | 0.89 | HTR1A (0.46) | HTR1AADRA1DADRA1AADRA1BHTT | |
| SCHEMBL3338753 | 0.88 | HTR1A (0.46) | HTR1AADRA1DADRA1AADRA1BHTT | |
| SCHEMBL3343494 | 0.88 | CASR (0.49) | HTR1AADRA1DADRA1AADRA1BHTT | |
| SCHEMBL3641253 | 0.81 | ALDH1A1 (0.41) | HTR1AADRA1DADRA1AADRA1BHTT | |
| SCHEMBL3343503 | 0.81 | ALDH1A1 (0.40) | HTR1AADRA1DADRA1AADRA1BHTT | |
| SCHEMBL3643578 | 0.81 | CASR (0.42) | HTR1AADRA1DADRA1AADRA1BHPGD | |
| SCHEMBL1567463 | 0.81 | HTT (0.45) | HTTHPGD | |
| SCHEMBL1567460 | 0.81 | HTT (0.45) | HTTHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100160424-A1 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. | 2010-06-24 | — | — | US | disclosed |
| EP-2170815-A2 | RENIN INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2010-04-07 | — | — | EP | disclosed |
| WO-2008156817-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2008-12-24 | — | — | 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-20100160424-A1 | RENIN INHIBITORS | ACE, REN, DNPEP | HTR1A 3341/4885ADRA1D 1038/4885ADRA1A 972/4885 |
“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.