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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27970992 | 0.80 | SLC6A3 (0.41) | SLC6A3RAB9ANPC1SMN1; SMN2NOS1 | |
| SCHEMBL4810391 | 0.78 | SLC6A3 (0.37) | SLC6A3RAB9ANPC1SMN1; SMN2NOS1 | |
| SCHEMBL26334851 | 0.72 | VHL (0.42) | SLC6A3RAB9ANPC1SMN1; SMN2OPRM1 | |
| SCHEMBL5898085 | 0.70 | — | — | |
| Lithium Ion SCHEMBL10484498 | 0.69 | SMN1; SMN2 (0.31) | SMN1; SMN2 | |
| SCHEMBL22286589 | 0.67 | SMN1; SMN2 (0.53) | RAB9ANPC1SMN1; SMN2PKMMAPT | |
| SCHEMBL26339330 | 0.65 | SLC6A3 (0.33) | SLC6A3NOS1OPRM1 | |
| SCHEMBL23581662 | 0.64 | SMN1; SMN2 (0.41) | SLC6A3RAB9ANPC1SMN1; SMN2NOS1 | |
| SCHEMBL28087107 | 0.61 | SLC6A3 (0.36) | SLC6A3NOS1OPRM1 | |
| SCHEMBL3428629 | 0.61 | MAPT (0.61) | RAB9ANPC1SMN1; SMN2MAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4872918-A | Heterocyclic esters and smoking compositions containing a heterocyclic ester flavorant-release additive | PHILIP MORRIS INCORPORATED (US) | 1989-10-10 | — | — | US | disclosed |