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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.95 |
| ▸ | CAPN1 | P07384 | 14/20 | 0.40 |
| ▸ | CTSB | P07858 | 3/20 | 0.40 |
| ▸ | CAPN9 | O14815 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CTSG | P08311 | 1/20 | 0.39 |
| ▸ | CTSH | P09668 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSC | P53634 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL2078877 | 0.97 | CTSK (0.95) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| SCHEMBL2079725 | 0.97 | CTSK (0.95) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| Potassium Ion SCHEMBL913496 | 0.97 | CTSK (0.95) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| SCHEMBL913738 | 0.97 | CTSK (1.00) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| SCHEMBL7206790 | 0.86 | CTSK (0.76) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| SCHEMBL6735420 | 0.86 | CTSK (0.76) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| SCHEMBL913603 | 0.86 | CTSK (0.76) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| SCHEMBL913547 | 0.85 | CTSK (0.74) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| SCHEMBL2730672 | 0.85 | CTSK (0.74) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| SCHEMBL14345721 | 0.82 | CTSK (0.69) | CTSKCAPN1CTSBCAPN9MAPK1 |
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-8163942-B2 | Salt of (2S, 3S)-3-[[(1S)-1-isobutoxymethyl-3-methylbutyl]carbamoyl]oxirane-2-carboxylic acid | VELCURA THERAPEUTICS, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-20110003993-A1 | SALT OF (2S, 3S) -3- [ [ (1S) -1- ISOBUTOXYMETHYL-3-METHYLBUTYL] CARBAMYL] OXIRANE-2-CARBOXYLIC ACID | NIPPON CHEMIPHAR CO., LTD. (JP) | 2011-01-06 | — | — | 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-20110003993-A1 | SALT OF (2S, 3S) -3- [ [ (1S) -1- ISOBUTOXYMETHYL-3-METHYLBUTYL] CARBAMYL] OXIRANE-2-CARBOXYLIC ACID | SLC7A1, CACNA1S, SLC7A5 | CTSK 823/4885CAPN1 663/4885CTSB 814/4885 |
“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.