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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.38 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 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 SCHEMBL5152511 | 0.94 | ENPP2 (0.42) | CA2CA12CA3CA6CA9 | |
| SCHEMBL29449995 | 0.89 | CA12 (0.52) | CA2CA12CA3CA6CA9 | |
| SCHEMBL217250 | 0.89 | CA12 (0.52) | CA2CA12CA3CA6CA9 | |
| SCHEMBL23271632 | 0.87 | CA12 (0.50) | CA2CA12CA3CA6CA9 | |
| Lithium SCHEMBL29517077 | 0.87 | CA12 (0.50) | CA2CA12CA3CA6CA9 | |
| SCHEMBL28759539 | 0.87 | CA12 (0.50) | CA2CA12CA3CA6CA9 | |
| SCHEMBL34461940 | 0.87 | CA12 (0.50) | CA2CA12CA3CA6CA9 | |
| Bromide SCHEMBL28616524 | 0.87 | CA12 (0.50) | CA2CA12CA3CA6CA9 | |
| Lithium SCHEMBL29619850 | 0.87 | CA12 (0.50) | CA2CA12CA3CA6CA9 | |
| SCHEMBL4076854 | 0.87 | CA12 (0.50) | CA2CA12CA3CA6CA9 |
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-7282468-B2 | Direct thermographic materials with catechol borate reducing agents | CARESTREAM HEALTH INC. (US) | 2007-10-16 | — | — | US | disclosed |
| US-20070015660-A1 | Direct thermographic materials with catechol borate reducing agents | EASTMAN KODAK COMPANY | 2007-01-18 | — | — | US | disclosed |