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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 4/20 | 0.47 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.44 |
| ▸ | TGM2 | P21980 | 5/20 | 0.44 |
| ▸ | F13A1 | P00488 | 4/20 | 0.44 |
| ▸ | TGM1 | P22735 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17202799 | 0.88 | EPHX2 (0.48) | EPHX2PTPN2PTPN1PTPN6ABL1 | |
| SCHEMBL17206298 | 0.86 | ATM (0.58) | MAPTATMALDH1A1 | |
| SCHEMBL17205899 | 0.74 | RXFP1 (0.53) | EPHX2MAPTALDH1A1 | |
| SCHEMBL31396747 | 0.74 | ABL1 (0.65) | EPHX2PTPN2PTPN1PTPN6ABL1 | |
| SCHEMBL13671323 | 0.73 | ABL1 (0.64) | EPHX2PTPN2PTPN1PTPN6ABL1 | |
| Lithium Ion SCHEMBL30863508 | 0.73 | MAPT (0.66) | MAPTALDH1A1 | |
| SCHEMBL26814997 | 0.73 | ALDH1A1 (0.56) | MAPTATMALDH1A1 | |
| SCHEMBL8699711 | 0.72 | KMT2A (0.52) | EPHX2PTPN2PTPN1PTPN6MAPT | |
| SCHEMBL11344621 | 0.71 | USP2 (0.45) | EPHX2ALDH1A1 | |
| SCHEMBL28425842 | 0.71 | PTPN2 (0.54) | PTPN2PTPN1PTPN6ABL1RIN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3134408-B1 | FACTOR XIa INHIBITORS | MERCK SHARP & DOHME (US) | 2020-08-12 | — | — | EP | disclosed |
| US-10093683-B2 | Factor XIa inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-10-09 | — | — | US | disclosed |
| US-20170044183-A1 | FACTOR XIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-02-16 | — | — | 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-20170044183-A1 | FACTOR XIa INHIBITORS | F11, SERPINC1, TFPI | EPHX2 233/4885PTPN2 3668/4885PTPN1 3604/4885 |
| US-10093683-B2 | Factor XIa inhibitors | F11, F12, SERPINC1 | EPHX2 270/4885PTPN2 4035/4885PTPN1 3739/4885 |
“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.