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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 7/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.34 |
| ▸ | HTR3B | O95264 | 2/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.34 |
| ▸ | HTR5A | P47898 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL1080364 | 0.91 | SIGMAR1 (0.37) | SIGMAR1HTR3ACHRNA7HTR3EHTR3B | |
| SCHEMBL9231237 | 0.91 | SIGMAR1 (0.37) | SIGMAR1HTR3ACHRNA7HTR3EHTR3B | |
| SCHEMBL9231230 | 0.91 | SIGMAR1 (0.37) | SIGMAR1HTR3ACHRNA7HTR3EHTR3B | |
| SCHEMBL1080362 | 0.91 | SIGMAR1 (0.37) | SIGMAR1HTR3ACHRNA7HTR3EHTR3B | |
| SCHEMBL1077863 | 0.90 | SIGMAR1 (0.37) | SIGMAR1HTR3ACHRNA7HTR3EHTR3B | |
| Lithium Ion SCHEMBL1081156 | 0.83 | CHRNA7 (0.45) | SIGMAR1HTR3ACHRNA7 | |
| SCHEMBL1079421 | 0.81 | SIGMAR1 (0.38) | SIGMAR1HTR3ACHRNA7HTR3EHTR3B | |
| SCHEMBL1079419 | 0.81 | SIGMAR1 (0.38) | SIGMAR1HTR3ACHRNA7HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL13387323 | 0.80 | SIGMAR1 (0.37) | SIGMAR1HTR3ACHRNA7HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL13387322 | 0.80 | SIGMAR1 (0.37) | SIGMAR1HTR3ACHRNA7HTR3EHTR3B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011008572-A2 | 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-01-20 | — | — | WO | disclosed |