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 | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 SCHEMBL7513559 | 0.94 | CA1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL357932 | 0.90 | CA1 (0.50) | CA12CA1CA2CA7CA9 | |
| Silver SCHEMBL11297956 | 0.90 | CA1 (0.50) | CA12CA1CA2CA7CA9 | |
| Potassium Ion SCHEMBL7514700 | 0.90 | CA1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14124827 | 0.78 | ESR2 (0.54) | ESR2CA12CA1CA2CA7 | |
| SCHEMBL6326434 | 0.76 | ESR2 (0.52) | ESR2CA12CA1CA2CA7 | |
| SCHEMBL9151672 | 0.75 | CA1 (0.79) | ESR2CA12CA1CA2CA7 | |
| SCHEMBL197522 | 0.75 | CA1 (0.79) | ESR2CA12CA1CA2CA7 | |
| SCHEMBL6733562 | 0.75 | CA1 (0.79) | ESR2CA12CA1CA2CA7 | |
| Iodide SCHEMBL28861996 | 0.72 | CA1 (0.73) | ESR2CA12CA1CA2CA7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050014840-A1 | Thiol sulfonamide metalloprotease inhibitors | PHARMACIA CORPORATION | 2005-01-20 | — | — | US | disclosed |
| US-6747027-B1 | SELECTIVELY INHIBITS IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-13 OVER IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-1 | PHARMACIA CORPORATION | 2004-06-08 | — | — | US | disclosed |
| EP-0939629-A4 | THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS | MONSANTO CO (US) | 2002-07-17 | — | — | EP | disclosed |
| EP-0939629-A1 | THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1999-09-08 | — | — | EP | disclosed |
| WO-1998003166-A1 | THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS | MONSANTO COMPANY (US) | 1998-01-29 | — | — | 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-20050014840-A1 | Thiol sulfonamide metalloprotease inhibitors | MMP12, MMP13, MMP3 | ESR2 3669/4885CA12 248/4885CA1 196/4885 |
“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.