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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | PDE2A | O00408 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 6/20 | 0.34 |
| ▸ | CNR2 | P34972 | 5/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL4007954 | 0.90 | MAPT (0.40) | MAPTTP53POLBKDM4EMEN1 | |
| Lithium SCHEMBL4007964 | 0.90 | MAPT (0.40) | MAPTTP53POLBKDM4EMEN1 | |
| SCHEMBL4013415 | 0.79 | LMNA (0.39) | MAPTTP53POLBKDM4EMEN1 | |
| SCHEMBL4010459 | 0.79 | MAPT (0.41) | MAPTTP53POLBKDM4EMEN1 | |
| SCHEMBL13770196 | 0.78 | MAPT (0.44) | MAPTTP53POLBKDM4EMEN1 | |
| SCHEMBL13769533 | 0.78 | MAPT (0.44) | MAPTTP53POLBKDM4EMEN1 | |
| SCHEMBL13769983 | 0.76 | CALCRL (0.41) | — | |
| SCHEMBL13769972 | 0.75 | SCD (0.36) | MAPTTP53CNR1CNR2 | |
| SCHEMBL4007937 | 0.75 | CALCRL (0.53) | PDE2APDE10A | |
| SCHEMBL4006053 | 0.75 | LMNA (0.47) | MAPTTP53POLBKDM4EMEN1 |
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-2009080682-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-07-02 | — | — | WO | disclosed |