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 | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 6/20 | 0.47 |
| ▸ | HTR2A | P28223 | 5/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL647982 | 0.86 | HRH1 (0.60) | HRH1HTR2AGRM2GRM3SIGMAR1 | |
| SCHEMBL5070184 | 0.80 | HRH1 (0.58) | HRH1HTR2ASIGMAR1TBXAS1 | |
| SCHEMBL17529779 | 0.78 | HRH1 (0.56) | HRH1HTR2ASIGMAR1TBXAS1 | |
| SCHEMBL8860226 | 0.78 | HRH1 (0.56) | HRH1HTR2ASIGMAR1TBXAS1 | |
| SCHEMBL647078 | 0.78 | HRH1 (0.56) | HRH1HTR2ASIGMAR1TBXAS1 | |
| SCHEMBL23581510 | 0.78 | HRH1 (0.56) | HRH1HTR2ASIGMAR1TBXAS1 | |
| SCHEMBL1415756 | 0.78 | HRH1 (0.56) | HRH1HTR2ASIGMAR1TBXAS1 | |
| Hydrochloric Acid SCHEMBL8508090 | 0.78 | HRH1 (0.47) | HRH1HTR2AGRM2GRM3SIGMAR1 | |
| SCHEMBL258151 | 0.73 | HRH1 (0.56) | HRH1HTR2ASIGMAR1MTNR1AMTNR1B | |
| SCHEMBL9073997 | 0.72 | HRH1 (0.71) | HRH1HTR2ASIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0761635-B1 | Process for the hydroformylation of olefinically unsaturated compounds | CELANESE GMBH (DE) | 1999-08-04 | — | — | EP | disclosed |
| EP-0761635-A1 | Process for the hydroformylation of olefinically unsaturated compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-03-12 | — | — | EP | disclosed |