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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 3/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR4 | Q13639 | 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 | |
|---|---|---|---|---|
| SCHEMBL4326345 | 0.91 | HTR3A (0.42) | HTR3ASIGMAR1CYP1A2CHRM2CHRM4 | |
| SCHEMBL4326339 | 0.91 | HTR3A (0.42) | HTR3ASIGMAR1CYP1A2CHRM2CHRM4 | |
| Lithium Ion SCHEMBL702370 | 0.91 | HTR3A (0.42) | HTR3ACYP1A2CHRM2CHRM4ADRA2A | |
| Lithium Ion SCHEMBL699991 | 0.91 | HTR3A (0.42) | HTR3ACYP1A2CHRM2CHRM4ADRA2A | |
| SCHEMBL701065 | 0.90 | HTR3A (0.41) | HTR3ASIGMAR1CYP1A2CHRM2CHRM4 | |
| SCHEMBL700434 | 0.89 | HTR3A (0.41) | HTR3ASIGMAR1CYP1A2CHRM2CHRM4 | |
| SCHEMBL700433 | 0.89 | HTR3A (0.41) | HTR3ASIGMAR1CYP1A2CHRM2CHRM4 | |
| Lithium Ion SCHEMBL700431 | 0.89 | CHRM2 (0.39) | HTR3ASIGMAR1CYP1A2CHRM2CHRM4 | |
| Lithium Ion SCHEMBL702639 | 0.89 | HTR3A (0.43) | HTR3ASIGMAR1 | |
| Lithium Ion SCHEMBL701115 | 0.89 | HTR3A (0.43) | HTR3ASIGMAR1 |
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-8124600-B2 | 5-HT3 receptor modulators, methods of making, and use thereof | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-02-28 | — | — | US | disclosed |
| EP-2310019-A2 | 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF | Albany Molecular Research, Inc. (US) | 2011-04-20 | — | — | EP | disclosed |