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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29169707 | 0.80 | ALDH1A1 (0.48) | CYP3A4ALDH1A1HSD17B10CYP1A2MEN1 | |
| SCHEMBL9780249 | 0.78 | ALDH1A1 (0.47) | CYP3A4ALDH1A1HSD17B10CYP1A2MEN1 | |
| SCHEMBL24776367 | 0.67 | ALDH1A1 (0.52) | ALDH1A1HSD17B10CYP1A2HPGDCYP2C19 | |
| SCHEMBL82369 | 0.66 | ALDH1A1 (0.52) | CYP3A4ALDH1A1HSD17B10CYP1A2MEN1 | |
| SCHEMBL1583760 | 0.65 | ALDH1A1 (0.41) | CYP3A4ALDH1A1HSD17B10CYP1A2KDM4E | |
| SCHEMBL29850141 | 0.65 | ALDH1A1 (0.41) | CYP3A4ALDH1A1HSD17B10CYP1A2KDM4E | |
| Naphthalene SCHEMBL15254633 | 0.65 | CYP2A6 (0.53) | CYP3A4ALDH1A1HSD17B10CYP1A2GPR84 | |
| Naphthalene SCHEMBL15254629 | 0.65 | CYP2A6 (0.53) | CYP3A4ALDH1A1HSD17B10CYP1A2GPR84 | |
| SCHEMBL149754 | 0.65 | ALDH1A1 (0.55) | CYP3A4ALDH1A1HSD17B10CYP1A2MEN1 | |
| Naphthalene SCHEMBL8009302 | 0.65 | CYP2A6 (0.53) | CYP3A4ALDH1A1HSD17B10CYP1A2GPR84 |
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-5030631-A | Hypotensive, bronchodilator agents | SCHERING CORPORATION (US) | 1991-07-09 | — | — | US | disclosed |