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 | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 5/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.43 |
| ▸ | ECE1 | P42892 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30775114 | 0.85 | HCRTR1 (0.45) | HCRTR1HCRTR2ECE1ADORA2AADORA2B | |
| SCHEMBL7910536 | 0.85 | HCRTR1 (0.45) | HCRTR1HCRTR2ECE1ADORA2AADORA2B | |
| SCHEMBL2496193 | 0.84 | HCRTR1 (0.45) | HCRTR1HCRTR2ECE1ADORA2AADORA2B | |
| SCHEMBL2501477 | 0.84 | HCRTR1 (0.44) | HCRTR1HCRTR2ECE1ADORA2AADORA2B | |
| Lithium Ion SCHEMBL609806 | 0.81 | S100A4 (0.39) | HCRTR1ADORA2AALDH1A1MEN1NPC1 | |
| SCHEMBL28791477 | 0.76 | HCRTR1 (0.39) | HCRTR1HCRTR2ECE1ADORA2AADORA2B | |
| Lithium Ion SCHEMBL607038 | 0.76 | HCRTR2 (0.48) | HCRTR1HCRTR2 | |
| SCHEMBL30774702 | 0.72 | HCRTR2 (0.53) | HCRTR1HCRTR2 | |
| Lithium Ion SCHEMBL19435284 | 0.70 | GRM5 (0.35) | MEN1NPC1RAB9AKMT2A | |
| Lithium Ion SCHEMBL2487357 | 0.70 | KDM4E (0.48) | HCRTR1HCRTR2ALDH1A1MEN1NPC1 |
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-2370426-A1 | N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL]METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF | Glaxo Group Limited (GB) | 2011-10-05 | — | — | EP | disclosed |
| US-20100144760-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2010-06-10 | — | — | US | disclosed |
| WO-2010063663-A1 | N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF | GLAXO GROUP LIMITED (GB) | 2010-06-10 | — | — | 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-20100144760-A1 | NOVEL COMPOUNDS | HTR3B, HTR1B, HTR2B | HCRTR1 2016/4885HCRTR2 1425/4885ECE1 2726/4885 |
“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.