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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 3/20 | 0.32 |
| ▸ | F13A1 | P00488 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TGM1 | P22735 | 1/20 | 0.31 |
| ▸ | TGM3 | Q08188 | 1/20 | 0.31 |
| ▸ | LSS | P48449 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3446689 | 0.75 | ALDH1A1 (0.36) | ALDH1A1MMP9LMNA | |
| SCHEMBL8979469 | 0.63 | — | — | |
| SCHEMBL20060546 | 0.63 | KMT2A (0.33) | ALDH1A1 | |
| SCHEMBL9555434 | 0.62 | ALDH1A1 (0.47) | PYCR1ALDH1A1MAPK1CYP2A6MMP9 | |
| SCHEMBL648420 | 0.62 | ALDH1A1 (0.52) | PYCR1ALDH1A1MAPK1CYP2A6TGM2 | |
| SCHEMBL1451609 | 0.61 | CYP2A6 (0.57) | ALDH1A1MAPK1CYP2A6MMP9 | |
| SCHEMBL8757360 | 0.61 | CYP1A2 (0.39) | ALDH1A1MAPK1CYP2A6LMNA | |
| Ethylene SCHEMBL28289342 | 0.59 | CYP2A6 (0.80) | ALDH1A1MAPK1CYP2A6 | |
| SCHEMBL2170246 | 0.59 | CYP2C19 (0.41) | PYCR1CYP2A6MMP9TGM2F13A1 | |
| SCHEMBL410871 | 0.59 | TAAR1 (0.50) | PYCR1CYP2A6TGM2LSS |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5500453-A | INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS | TOYO INK MANUFACTURING CO., LTD. (JP) | 1996-03-19 | — | — | US | disclosed |