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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 9/20 | 0.35 |
| ▸ | MAOB | P27338 | 9/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 4/20 | 0.33 |
| ▸ | AOC2 | O75106 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5914697 | 0.69 | MAOB (0.38) | HTR2AMAOAMAOBKDM1AAOC2 | |
| SCHEMBL10192535 | 0.67 | MAOA (0.37) | MAOAMAOBLMNAHTTAOC2 | |
| SCHEMBL28122562 | 0.67 | MAOB (0.44) | MAOAMAOBKDM1A | |
| SCHEMBL27853297 | 0.63 | MAOA (0.39) | SIGMAR1MAOAMAOBL3MBTL1KDM1A | |
| SCHEMBL19289110 | 0.61 | TSHR (0.38) | SIGMAR1LMNANPSR1L3MBTL1ADRA2A | |
| Cadaverine Tartrate SCHEMBL14359634 | 0.60 | MAOB (0.33) | MAOAMAOBAOC2 | |
| SCHEMBL7846851 | 0.60 | HRH3 (0.38) | MAOAMAOBLMNANPSR1ADRA2A | |
| SCHEMBL30528365 | 0.60 | DRD2 (0.53) | SIGMAR1DRD2HTR2AMAOAMAOB | |
| SCHEMBL10366357 | 0.59 | HTR1A (0.50) | SIGMAR1MAOAMAOBHTR1AADRA2A | |
| SCHEMBL16499182 | 0.58 | MAOB (0.34) | MAOAMAOBAOC2 |
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-2008130319-A2 | NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN | ASTRAZENECA AB (SE) | 2008-10-30 | — | — | WO | disclosed |