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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | FBP1 | P09467 | 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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL3640204 | 0.92 | GAA (0.40) | POLBLTB4RALDH1A1HTR1AADRA1D | |
| Lithium Ion SCHEMBL3338747 | 0.91 | HTR1A (0.44) | LTB4RHTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL3641253 | 0.89 | ALDH1A1 (0.41) | RENCYP2D6CYP2C19POLBMEN1 | |
| SCHEMBL3344191 | 0.89 | CASR (0.42) | RENCYP2D6CYP2C19POLBMEN1 | |
| SCHEMBL3343503 | 0.88 | ALDH1A1 (0.40) | RENCYP2D6CYP2C19POLBMEN1 | |
| SCHEMBL3643578 | 0.81 | CASR (0.42) | POLBMEN1KMT2AHTR1AADRA1D | |
| SCHEMBL8076505 | 0.80 | HTR1A (0.46) | ALDH1A1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL3338753 | 0.79 | HTR1A (0.46) | ALDH1A1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL3343494 | 0.79 | CASR (0.49) | ALDH1A1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL10068970 | 0.77 | HTT (0.41) | RENCYP2C19MEN1KMT2ASMN1; SMN2 |
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 | REN 2/4885CYP2D6 2754/4885CYP2C19 3525/4885 |
“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.